methyl 7-[[1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]heptanoate Openeye Name: methyl 7-[[1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]heptanoate CAS Name: 7-[[[1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]heptanoate Traditional Name: 7-[[5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carbonyl]amino]enanthic acid methyl ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)CCCCCCNC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H28N2O4S/c1-26-19(24)7-5-3-4-6-12-21-20(25)15-13-18(23)22(14-15)16-8-10-17(27-2)11-9-16/h8-11,15H,3-7,12-14H2,1-2H3,(H,21,25)