ethyl 1-[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-acetamido-4-(methylthio)-1-oxobutyl]-4-[(4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-acetamido-4-methylsulfanylbutanoyl]-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-acetamido-4-(methylthio)butanoyl]-4-p-anisyl-isonipecotic acid ethyl ester Formula: C23H34N2O5S MolecularWeight: 450.59146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C(CCSC)NC(=O)C)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)[C@H](CCSC)NC(=O)C)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C23H34N2O5S/c1-5-30-22(28)23(16-18-6-8-19(29-3)9-7-18)11-13-25(14-12-23)21(27)20(10-15-31-4)24-17(2)26/h6-9,20H,5,10-16H2,1-4H3,(H,24,26)/t20-/m0/s1