(3-bromanyl-4-methoxy-phenyl)methyl (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid (3-bromo-4-methoxy-benzyl) ester Formula: C14H19BrN2O4S MolecularWeight: 391.28066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C(CCSC)NC(=O)N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)[C@H](CCSC)NC(=O)N)Br

InChI

InChI=1S/C14H19BrN2O4S/c1-20-12-4-3-9(7-10(12)15)8-21-13(18)11(5-6-22-2)17-14(16)19/h3-4,7,11H,5-6,8H2,1-2H3,(H3,16,17,19)/t11-/m0/s1