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

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C16H22N2O5S/c1-3-22-12-6-4-11(5-7-12)14(19)10-23-15(20)13(8-9-24-2)18-16(17)21/h4-7,13H,3,8-10H2,1-2H3,(H3,17,18,21)/t13-/m0/s1