ethyl 1-[(3-methylsulfanylphenyl)carbamoyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-methylsulfanylphenyl)carbamoyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-methylsulfanylphenyl)carbamoyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate CAS Name: 1-[[3-(methylthio)anilino]-oxomethyl]-4-(2-phenoxyethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-methylsulfanylphenyl)carbamoyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate Traditional Name: 1-[[3-(methylthio)phenyl]carbamoyl]-4-(2-phenoxyethyl)isonipecotic acid ethyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC(=CC=C2)SC)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC(=CC=C2)SC)CCOC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O4S/c1-3-29-22(27)24(14-17-30-20-9-5-4-6-10-20)12-15-26(16-13-24)23(28)25-19-8-7-11-21(18-19)31-2/h4-11,18H,3,12-17H2,1-2H3,(H,25,28)