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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4S2/c19-9-11-26-15-5-2-1-4-13(15)20-17(22)12-24-18(23)8-7-14(21)16-6-3-10-25-16/h1-6,10H,7-8,11-12H2,(H,20,22)