[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(m-toluoylamino)butyric acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)[C@@H](CCSC)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C23H27NO4S/c1-15-6-5-7-18(12-15)22(26)24-20(10-11-29-4)23(27)28-14-21(25)19-13-16(2)8-9-17(19)3/h5-9,12-13,20H,10-11,14H2,1-4H3,(H,24,26)/t20-/m1/s1