S-[[5-[(4-methylphenyl)carbonylsulfanylmethyl]-2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]methyl] 4-methylbenzenecarbothioate

Systemtic Name: S-[[5-[(4-methylphenyl)carbonylsulfanylmethyl]-2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]methyl] 4-methylbenzenecarbothioate Openeye Name: S-[[1-benzyl-5-[(4-methylbenzoyl)sulfanylmethyl]-2-oxo-pyrrolidin-3-yl]methyl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-[[5-[[[(4-methylphenyl)-oxomethyl]thio]methyl]-2-oxo-1-(phenylmethyl)-3-pyrrolidinyl]methyl] ester IUPAC Name: S-[[1-benzyl-5-[(4-methylbenzoyl)sulfanylmethyl]-2-oxopyrrolidin-3-yl]methyl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-[[1-benzyl-2-keto-5-[(p-toluoylthio)methyl]pyrrolidin-3-yl]methyl] ester Formula: C29H29NO3S2 MolecularWeight: 503.67546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SCC2CC(N(C2=O)CC3=CC=CC=C3)CSC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SCC2CC(N(C2=O)CC3=CC=CC=C3)CSC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H29NO3S2/c1-20-8-12-23(13-9-20)28(32)34-18-25-16-26(19-35-29(33)24-14-10-21(2)11-15-24)30(27(25)31)17-22-6-4-3-5-7-22/h3-15,25-26H,16-19H2,1-2H3