[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-phenyl-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-phenyl-1,3-thiazole-4-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-phenylthiazole-4-carboxylate CAS Name: 2-phenyl-4-thiazolecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate Traditional Name: 2-phenylthiazole-4-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C20H15N3O3S2 MolecularWeight: 409.4814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C20H15N3O3S2/c21-10-11-27-17-9-5-4-8-15(17)22-18(24)12-26-20(25)16-13-28-19(23-16)14-6-2-1-3-7-14/h1-9,13H,11-12H2,(H,22,24)