ethyl 1-[(2-methylsulfanyl-1,3-thiazol-4-yl)carbonyl]-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2-methylsulfanyl-1,3-thiazol-4-yl)carbonyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(2-methylsulfanylthiazole-4-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[[2-(methylthio)-4-thiazolyl]-oxomethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-[2-(methylthio)thiazole-4-carbonyl]-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CSC(=N2)SC)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CSC(=N2)SC)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S2/c1-3-27-20(26)22(11-7-10-17-8-5-4-6-9-17)12-14-24(15-13-22)19(25)18-16-29-21(23-18)28-2/h4-6,8-9,16H,3,7,10-15H2,1-2H3