methyl 4-[[3-methylidene-2-oxidanylidene-5-[2-(phenylmethylsulfanyl)propan-2-yl]pyrrolidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[3-methylidene-2-oxidanylidene-5-[2-(phenylmethylsulfanyl)propan-2-yl]pyrrolidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[5-(1-benzylsulfanyl-1-methyl-ethyl)-3-methylene-2-oxo-pyrrolidin-1-yl]methyl]benzoate CAS Name: 4-[[3-methylene-2-oxo-5-[2-(phenylmethylthio)propan-2-yl]-1-pyrrolidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(2-benzylsulfanylpropan-2-yl)-3-methylidene-2-oxopyrrolidin-1-yl]methyl]benzoate Traditional Name: 4-[[5-[1-(benzylthio)-1-methyl-ethyl]-2-keto-3-methylene-pyrrolidino]methyl]benzoic acid methyl ester Formula: C24H27NO3S MolecularWeight: 409.54108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CC(=C)C(=O)N1CC2=CC=C(C=C2)C(=O)OC)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C1CC(=C)C(=O)N1CC2=CC=C(C=C2)C(=O)OC)SCC3=CC=CC=C3

InChI

InChI=1S/C24H27NO3S/c1-17-14-21(24(2,3)29-16-19-8-6-5-7-9-19)25(22(17)26)15-18-10-12-20(13-11-18)23(27)28-4/h5-13,21H,1,14-16H2,2-4H3