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

Systemtic Name: ethyl 1-[(2-methylsulfanylphenyl)carbamoyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(2-methylsulfanylphenyl)carbamoyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate CAS Name: 1-[[2-(methylthio)anilino]-oxomethyl]-4-(2-phenoxyethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-methylsulfanylphenyl)carbamoyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate Traditional Name: 1-[[2-(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=C2SC)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC=CC=C2SC)CCOC3=CC=CC=C3

InChI

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