[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4S/c1-10-4-5-11(2)12(8-10)14(19)9-22-15(20)13(6-7-23-3)18-16(17)21/h4-5,8,13H,6-7,9H2,1-3H3,(H3,17,18,21)/t13-/m0/s1