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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)ethanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-(2-thienylsulfonylamino)acetate CAS Name: 2-(thiophen-2-ylsulfonylamino)acetic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-thienylsulfonylamino)acetic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C16H15N3O5S3 MolecularWeight: 425.5024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5S3/c17-7-9-25-13-5-2-1-4-12(13)19-14(20)11-24-15(21)10-18-27(22,23)16-6-3-8-26-16/h1-6,8,18H,9-11H2,(H,19,20)