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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(2-thienyl)thiazole-4-carboxylate CAS Name: 2-thiophen-2-yl-4-thiazolecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(2-thienyl)thiazole-4-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H13N3O3S2 MolecularWeight: 383.44412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)C2=CSC(=N2)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)C2=CSC(=N2)C3=CC=CS3

InChI

InChI=1S/C18H13N3O3S2/c19-8-9-21(13-5-2-1-3-6-13)16(22)11-24-18(23)14-12-26-17(20-14)15-7-4-10-25-15/h1-7,10,12H,9,11H2