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

Systemtic Name: ethyl 1-[(2S)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-4-(methylthio)-2-(o-anisoylamino)butanoyl]isonipecotic acid ethyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C21H30N2O5S/c1-4-28-21(26)15-9-12-23(13-10-15)20(25)17(11-14-29-3)22-19(24)16-7-5-6-8-18(16)27-2/h5-8,15,17H,4,9-14H2,1-3H3,(H,22,24)/t17-/m0/s1