(2R)-2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: (2R)-2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (2R)-2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: (2R)-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]propanoate IUPAC Name: (2R)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2R)-2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]propionate Formula: C13H16NO5S- MolecularWeight: 298.33484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC(=O)NC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

C[C@H](C(=O)[O-])SCC(=O)NC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C13H17NO5S/c1-8(13(16)17)20-7-12(15)14-9-4-5-10(18-2)11(6-9)19-3/h4-6,8H,7H2,1-3H3,(H,14,15)(H,16,17)/p-1/t8-/m1/s1