[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 4-methyl-2-(2-thienyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-thiophen-2-yl-5-thiazolecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(2-thienyl)thiazole-5-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C19H15N3O3S3 MolecularWeight: 429.5357

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CS2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CS2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C19H15N3O3S3/c1-12-17(28-18(21-12)15-7-4-9-26-15)19(24)25-11-16(23)22-13-5-2-3-6-14(13)27-10-8-20/h2-7,9H,10-11H2,1H3,(H,22,23)