[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)CCC2=CSC=C2)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)CCC2=CSC=C2)SCC#N

InChI

InChI=1S/C17H16N2O3S2/c18-8-10-24-15-4-2-1-3-14(15)19-16(20)11-22-17(21)6-5-13-7-9-23-12-13/h1-4,7,9,12H,5-6,10-11H2,(H,19,20)