1,1-Dimethylethyl 2-[[(Z)-[1-(2-amino-4-thiazolyl)-2-(2-benzothiazolylthio)-2-oxoethylidene]amino]oxy]-2-methylpropanoate
Properties
- Molecular formula
- C20H22N4O4S3
- Molar mass
- 478.60 g/mol
- Exact mass
- 478.0803 Da
- Melting point
- 139–140 °C
- logP
- 4.33Crippen estimate
- Polar surface area
- 117.5 Ų
- H-bond donors / acceptors
- 2 / 10
- Rotatable bonds
- 6
Identifiers
CAS number
89604-92-2SMILES
CC(C)(C)OC(=O)C(C)(C)O/N=C(C(=O)Sc1nc2ccccc2s1)c1csc(=N)[nH]1InChIKey
RCZJVHXVCSKDKB-OYKKKHCWSA-NInChI
InChI=1S/C20H22N4O4S3/c1-19(2,3)27-16(26)20(4,5)28-24-14(12-10-29-17(21)22-12)15(25)31-18-23-11-8-6-7-9-13(11)30-18/h6-10H,1-5H3,(H2,21,22)/b24-14-Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Propanoic acid, 2-[[(Z)-[1-(2-amino-4-thiazolyl)-2-(2-benzothiazolylthio)-2-oxoethylidene]amino]oxy]-2-methyl-, 1,1-dimethylethyl ester
- Propanoic acid, 2-[[[1-(2-amino-4-thiazolyl)-2-(2-benzothiazolylthio)-2-oxoethylidene]amino]oxy]-2-methyl-, 1,1-dimethylethyl ester, (Z)-
- 2-Mercaptobenzothiazolyl-(Z)-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl) isopropoxyiminoacetate