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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC(=O)NC2=CC=CC=C2C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](CCSC)C(=O)OCC(=O)NC2=CC=CC=C2C

InChI

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