methyl (2R)-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[2-(3,4-dimethoxyphenyl)thiazole-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-(3,4-dimethoxyphenyl)thiazole-4-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)NC(CCSC)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)N[C@H](CCSC)C(=O)OC)OC

InChI

InChI=1S/C18H22N2O5S2/c1-23-14-6-5-11(9-15(14)24-2)17-20-13(10-27-17)16(21)19-12(7-8-26-4)18(22)25-3/h5-6,9-10,12H,7-8H2,1-4H3,(H,19,21)/t12-/m1/s1