[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NCCC#N)SCC2=CSC=N2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NCCC#N)SCC2=CSC=N2

InChI

InChI=1S/C16H15N3O3S2/c17-6-3-7-18-15(20)8-22-16(21)13-4-1-2-5-14(13)24-10-12-9-23-11-19-12/h1-2,4-5,9,11H,3,7-8,10H2,(H,18,20)