methyl 4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)piperidine-4-carboxylate

Systemtic Name: methyl 4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)piperidine-4-carboxylate Openeye Name: methyl 4-phenyl-1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 4-phenyl-1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)isonipecotic acid methyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)C2=CC3=C(S2)CCCC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)C2=CC3=C(S2)CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25NO3S/c1-26-21(25)22(17-8-3-2-4-9-17)11-13-23(14-12-22)20(24)19-15-16-7-5-6-10-18(16)27-19/h2-4,8-9,15H,5-7,10-14H2,1H3