[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)[C@H](CCSC)NC(=O)N

InChI

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