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

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C16H20N2O5S3 MolecularWeight: 416.5354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5S3/c1-26(21,22)13-6-4-5-12(9-13)17-14(19)10-23-15(20)11-25-16(24)18-7-2-3-8-18/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,17,19)