ethyl 1-[3-acetamido-4-(4-methylphenyl)sulfanyl-phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-acetamido-4-(4-methylphenyl)sulfanyl-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-acetamido-4-(p-tolylsulfanyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-acetamido-4-[(4-methylphenyl)thio]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-acetamido-4-(4-methylphenyl)sulfanylbenzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-acetamido-4-(p-tolylthio)benzoyl]isonipecotic acid ethyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)NC(=O)C

InChI

InChI=1S/C24H28N2O4S/c1-4-30-24(29)18-11-13-26(14-12-18)23(28)19-7-10-22(21(15-19)25-17(3)27)31-20-8-5-16(2)6-9-20/h5-10,15,18H,4,11-14H2,1-3H3,(H,25,27)