methyl (2R)-2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[2-(2-bromo-4,5-dimethoxyphenyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H22BrNO5S MolecularWeight: 420.31858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)NC(CCSC)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)N[C@H](CCSC)C(=O)OC)Br)OC

InChI

InChI=1S/C16H22BrNO5S/c1-21-13-7-10(11(17)9-14(13)22-2)8-15(19)18-12(5-6-24-4)16(20)23-3/h7,9,12H,5-6,8H2,1-4H3,(H,18,19)/t12-/m1/s1