[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C18H16N2O4S/c19-10-11-20(14-5-2-1-3-6-14)17(22)13-24-18(23)9-8-15(21)16-7-4-12-25-16/h1-7,12H,8-9,11,13H2