(5-ethanoyl-2-methoxy-phenyl)methyl (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid (5-acetyl-2-methoxy-benzyl) ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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