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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C17H17N3O5S3 MolecularWeight: 439.52898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5S3/c18-8-11-26-14-5-2-1-4-13(14)20-15(21)12-25-16(22)7-9-19-28(23,24)17-6-3-10-27-17/h1-6,10,19H,7,9,11-12H2,(H,20,21)