(2-azanyl-2-oxidanylidene-ethyl) 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: (2-amino-2-oxo-ethyl) 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid (2-amino-2-keto-ethyl) ester Formula: C13H12N2O3S2 MolecularWeight: 308.37598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)N)SCC2=CSC=N2

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)N)SCC2=CSC=N2

InChI

InChI=1S/C13H12N2O3S2/c14-12(16)5-18-13(17)9-1-3-11(4-2-9)20-7-10-6-19-8-15-10/h1-4,6,8H,5,7H2,(H2,14,16)