ethyl 4-[(4-methoxyphenyl)methyl]-1-(2-methylsulfanylphenyl)carbonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(2-methylsulfanylphenyl)carbonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(2-methylsulfanylbenzoyl)piperidine-4-carboxylate CAS Name: 4-[(4-methoxyphenyl)methyl]-1-[[2-(methylthio)phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(2-methylsulfanylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-[2-(methylthio)benzoyl]-4-p-anisyl-isonipecotic acid ethyl ester Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=CC=C2SC)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=CC=C2SC)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H29NO4S/c1-4-29-23(27)24(17-18-9-11-19(28-2)12-10-18)13-15-25(16-14-24)22(26)20-7-5-6-8-21(20)30-3/h5-12H,4,13-17H2,1-3H3