chempirical

5H-Thieno[3,4-C][2,1]benzothiazine-1-carboxylic acid, 5-methyl-3-(methylthio)-, ethyl ester, 4,4-dioxide

C15H15NO4S3CAS 175276-42-3369.47 g/mol

Open in Covalent MOL file
OOSSNSOO
EsterSulfideSulfonamide

Properties

Molecular formula
C15H15NO4S3
Molar mass
369.47 g/mol
Exact mass
369.0163 Da
logP
3.45Crippen estimate
Polar surface area
63.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
3

Identifiers

CAS number
175276-42-3
SMILES
CCOC(=O)c1sc(SC)c2c1-c1ccccc1N(C)S2(=O)=O
InChIKey
WGTIBYAJTUDIIV-UHFFFAOYSA-N
InChI
InChI=1S/C15H15NO4S3/c1-4-20-14(17)12-11-9-7-5-6-8-10(9)16(2)23(18,19)13(11)15(21-3)22-12/h5-8H,4H2,1-3H3

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Work with 5H-Thieno[3,4-C][2,1]benzothiazine-1-carboxylic acid, 5-methyl-3-(methylthio)-, ethyl ester, 4,4-dioxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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