ethyl 1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-4-(2-phenylsulfanylphenyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-4-(2-phenylsulfanylphenyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(4-fluorophenyl)-4-oxo-butyl]-4-(2-phenylsulfanylphenyl)piperidine-4-carboxylate CAS Name: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-[2-(phenylthio)phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(2-phenylsulfanylphenyl)piperidine-4-carboxylate Traditional Name: 1-[4-(4-fluorophenyl)-4-keto-butyl]-4-[2-(phenylthio)phenyl]isonipecotic acid ethyl ester Formula: C30H32FNO3S MolecularWeight: 505.643383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C30H32FNO3S/c1-2-35-29(34)30(26-11-6-7-13-28(26)36-25-9-4-3-5-10-25)18-21-32(22-19-30)20-8-12-27(33)23-14-16-24(31)17-15-23/h3-7,9-11,13-17H,2,8,12,18-22H2,1H3