[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C17H17N3O3S2/c1-12-20-13(10-24-12)11-25-15-6-3-2-5-14(15)17(22)23-9-16(21)19-8-4-7-18/h2-3,5-6,10H,4,8-9,11H2,1H3,(H,19,21)