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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-15-7-9-18(10-8-15)23-20(25)14-28-22(27)19(11-12-29-3)24-21(26)17-6-4-5-16(2)13-17/h4-10,13,19H,11-12,14H2,1-3H3,(H,23,25)(H,24,26)/t19-/m0/s1