ethyl 1-[[2-[1-[2-(4-methylsulfanylphenyl)ethanoyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[2-[1-[2-(4-methylsulfanylphenyl)ethanoyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]-4-piperidyl]thiazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-[1-[2-[4-(methylthio)phenyl]-1-oxoethyl]-4-piperidinyl]-4-thiazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-[1-[2-[4-(methylthio)phenyl]acetyl]-4-piperidyl]thiazole-4-carbonyl]nipecotic acid ethyl ester Formula: C26H33N3O4S2 MolecularWeight: 515.68792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)CC4=CC=C(C=C4)SC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C26H33N3O4S2/c1-3-33-26(32)20-5-4-12-29(16-20)25(31)22-17-35-24(27-22)19-10-13-28(14-11-19)23(30)15-18-6-8-21(34-2)9-7-18/h6-9,17,19-20H,3-5,10-16H2,1-2H3