[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(4,5-dihydrothiazol-2-ylthio)methyl]benzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(2-thiazolin-2-ylthio)methyl]benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CSC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H17N3O3S2/c21-11-14-4-3-6-16(10-14)23-18(24)12-26-19(25)17-7-2-1-5-15(17)13-28-20-22-8-9-27-20/h1-7,10H,8-9,12-13H2,(H,23,24)