methyl 1-[[1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H26N2O4S/c1-26-19(25)20(10-4-3-5-11-20)21-18(24)14-12-17(23)22(13-14)15-6-8-16(27-2)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3,(H,21,24)