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

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4S/c1-10-4-3-5-11(8-10)17-13(19)9-22-14(20)12(6-7-23-2)18-15(16)21/h3-5,8,12H,6-7,9H2,1-2H3,(H,17,19)(H3,16,18,21)/t12-/m0/s1