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

Systemtic Name: (2S)-2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbutanoic acid Openeye Name: (2S)-2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanylbutanoic acid CAS Name: (2S)-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]butanoic acid IUPAC Name: (2S)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbutanoic acid Traditional Name: (2S)-2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]butyric acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SCC(=O)NC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-4-12(14(17)18)21-8-13(16)15-9-5-6-10(19-2)11(7-9)20-3/h5-7,12H,4,8H2,1-3H3,(H,15,16)(H,17,18)/t12-/m0/s1