methyl 1-[3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]propanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]propanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxo-pyrrolidin-2-yl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-[2-[[4-(methylthio)phenyl]methyl]-5-oxo-2-pyrrolidinyl]-1-oxopropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[5-keto-2-[4-(methylthio)benzyl]pyrrolidin-2-yl]propanoyl]isonipecotic acid methyl ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CCC2(CCC(=O)N2)CC3=CC=C(C=C3)SC

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CCC2(CCC(=O)N2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H30N2O4S/c1-28-21(27)17-9-13-24(14-10-17)20(26)8-12-22(11-7-19(25)23-22)15-16-3-5-18(29-2)6-4-16/h3-6,17H,7-15H2,1-2H3,(H,23,25)