[2-[[3-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [2-[[3-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-[3-(methylcarbamoyl)anilino]-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-keto-2-[3-(methylcarbamoyl)anilino]ethyl] ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C17H21N3O4S2/c1-18-16(23)12-5-4-6-13(9-12)19-14(21)10-24-15(22)11-26-17(25)20-7-2-3-8-20/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,18,23)(H,19,21)