S-[[4-ethanoylsulfanyl-1-(4-methoxyphenyl)sulfonyl-pyrrolidin-2-yl]methyl] ethanethioate

Systemtic Name: S-[[4-ethanoylsulfanyl-1-(4-methoxyphenyl)sulfonyl-pyrrolidin-2-yl]methyl] ethanethioate Openeye Name: S-[[4-acetylsulfanyl-1-(4-methoxyphenyl)sulfonyl-pyrrolidin-2-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[4-(acetylthio)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinyl]methyl] ester IUPAC Name: S-[[4-acetylsulfanyl-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[4-(acetylthio)-1-(4-methoxyphenyl)sulfonyl-pyrrolidin-2-yl]methyl] ester Formula: C16H21NO5S3 MolecularWeight: 403.53664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CC(CN1S(=O)(=O)C2=CC=C(C=C2)OC)SC(=O)C

Isomeric SMILES

CC(=O)SCC1CC(CN1S(=O)(=O)C2=CC=C(C=C2)OC)SC(=O)C

InChI

InChI=1S/C16H21NO5S3/c1-11(18)23-10-13-8-15(24-12(2)19)9-17(13)25(20,21)16-6-4-14(22-3)5-7-16/h4-7,13,15H,8-10H2,1-3H3