[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C17H22N2O3S2 MolecularWeight: 366.49818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C17H22N2O3S2/c1-12-5-7-14(8-6-12)18-16(21)13(2)22-15(20)11-24-17(23)19-9-3-4-10-19/h5-8,13H,3-4,9-11H2,1-2H3,(H,18,21)/t13-/m0/s1