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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)COC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)COC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C16H20N2O5S3/c1-26(21,22)13-7-3-2-6-12(13)17-14(19)10-23-15(20)11-25-16(24)18-8-4-5-9-18/h2-3,6-7H,4-5,8-11H2,1H3,(H,17,19)