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

Systemtic Name: S-[[5-[(4-methoxyphenyl)carbonylsulfanylmethyl]-2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]methyl] 4-methoxybenzenecarbothioate Openeye Name: S-[[1-benzyl-5-[(4-methoxybenzoyl)sulfanylmethyl]-2-oxo-pyrrolidin-3-yl]methyl] 4-methoxybenzenecarbothioate CAS Name: 4-methoxybenzenecarbothioic acid S-[[5-[[[(4-methoxyphenyl)-oxomethyl]thio]methyl]-2-oxo-1-(phenylmethyl)-3-pyrrolidinyl]methyl] ester IUPAC Name: S-[[1-benzyl-5-[(4-methoxybenzoyl)sulfanylmethyl]-2-oxopyrrolidin-3-yl]methyl] 4-methoxybenzenecarbothioate Traditional Name: 4-methoxythiobenzoic acid S-[[1-benzyl-2-keto-5-[(p-anisoylthio)methyl]pyrrolidin-3-yl]methyl] ester Formula: C29H29NO5S2 MolecularWeight: 535.67426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)SCC2CC(N(C2=O)CC3=CC=CC=C3)CSC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)SCC2CC(N(C2=O)CC3=CC=CC=C3)CSC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H29NO5S2/c1-34-25-12-8-21(9-13-25)28(32)36-18-23-16-24(30(27(23)31)17-20-6-4-3-5-7-20)19-37-29(33)22-10-14-26(35-2)15-11-22/h3-15,23-24H,16-19H2,1-2H3