[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(m-toluoylamino)butyric acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-15-6-4-8-17(12-15)21(26)24-19(10-11-29-3)22(27)28-14-20(25)23-18-9-5-7-16(2)13-18/h4-9,12-13,19H,10-11,14H2,1-3H3,(H,23,25)(H,24,26)/t19-/m1/s1