ethyl 1-[1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carbonyl]isonipecotic acid ethyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H26N2O4S/c1-3-26-20(25)14-8-10-21(11-9-14)19(24)15-12-18(23)22(13-15)16-4-6-17(27-2)7-5-16/h4-7,14-15H,3,8-13H2,1-2H3