ethyl 4-[(3S)-3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-(2-methylsulfanylbenzoyl)-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-[[2-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-[2-(methylthio)benzoyl]piperidino]piperidine-1-carboxylic acid ethyl ester Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CCCC(C2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CCC[C@@H](C2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C21H30N2O3S/c1-3-26-21(25)22-13-10-17(11-14-22)23-12-6-7-16(15-23)20(24)18-8-4-5-9-19(18)27-2/h4-5,8-9,16-17H,3,6-7,10-15H2,1-2H3/t16-/m0/s1