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

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]acetic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSCC(=O)O)OC

InChI

InChI=1S/C12H15NO5S/c1-17-9-4-3-8(5-10(9)18-2)13-11(14)6-19-7-12(15)16/h3-5H,6-7H2,1-2H3,(H,13,14)(H,15,16)