S-[[5-(ethanoylsulfanylmethyl)-2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]methyl] ethanethioate

Systemtic Name: S-[[5-(ethanoylsulfanylmethyl)-2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]methyl] ethanethioate Openeye Name: S-[[5-(acetylsulfanylmethyl)-1-benzyl-2-oxo-pyrrolidin-3-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[5-[(acetylthio)methyl]-2-oxo-1-(phenylmethyl)-3-pyrrolidinyl]methyl] ester IUPAC Name: S-[[5-(acetylsulfanylmethyl)-1-benzyl-2-oxopyrrolidin-3-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[5-[(acetylthio)methyl]-1-benzyl-2-keto-pyrrolidin-3-yl]methyl] ester Formula: C17H21NO3S2 MolecularWeight: 351.48354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CC(N(C1=O)CC2=CC=CC=C2)CSC(=O)C

Isomeric SMILES

CC(=O)SCC1CC(N(C1=O)CC2=CC=CC=C2)CSC(=O)C

InChI

InChI=1S/C17H21NO3S2/c1-12(19)22-10-15-8-16(11-23-13(2)20)18(17(15)21)9-14-6-4-3-5-7-14/h3-7,15-16H,8-11H2,1-2H3