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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSCCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSCCC(=O)[O-])OC

InChI

InChI=1S/C13H17NO5S/c1-18-10-4-3-9(7-11(10)19-2)14-12(15)8-20-6-5-13(16)17/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)(H,16,17)/p-1