S-[[2-oxidanylidene-5-(phenylcarbonylsulfanylmethyl)-1-(phenylmethyl)pyrrolidin-3-yl]methyl] benzenecarbothioate

Systemtic Name: S-[[2-oxidanylidene-5-(phenylcarbonylsulfanylmethyl)-1-(phenylmethyl)pyrrolidin-3-yl]methyl] benzenecarbothioate Openeye Name: S-[[5-(benzoylsulfanylmethyl)-1-benzyl-2-oxo-pyrrolidin-3-yl]methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[[5-[(benzoylthio)methyl]-2-oxo-1-(phenylmethyl)-3-pyrrolidinyl]methyl] ester IUPAC Name: S-[[5-(benzoylsulfanylmethyl)-1-benzyl-2-oxopyrrolidin-3-yl]methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[[5-[(benzoylthio)methyl]-1-benzyl-2-keto-pyrrolidin-3-yl]methyl] ester Formula: C27H25NO3S2 MolecularWeight: 475.6223

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1CSC(=O)C2=CC=CC=C2)CC3=CC=CC=C3)CSC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C(=O)N(C1CSC(=O)C2=CC=CC=C2)CC3=CC=CC=C3)CSC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H25NO3S2/c29-25-23(18-32-26(30)21-12-6-2-7-13-21)16-24(28(25)17-20-10-4-1-5-11-20)19-33-27(31)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2