[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylcarbonylamino)ethanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylcarbonylamino)ethanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-(thiophene-2-carbonylamino)acetate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]acetic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate Traditional Name: 2-(2-thenoylamino)acetic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S2/c18-7-9-26-13-5-2-1-4-12(13)20-15(21)11-24-16(22)10-19-17(23)14-6-3-8-25-14/h1-6,8H,9-11H2,(H,19,23)(H,20,21)