3-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(4-methoxycarbonylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(4-carbomethoxyanilino)-2-keto-ethyl]thio]propionic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)O

InChI

InChI=1S/C13H15NO5S/c1-19-13(18)9-2-4-10(5-3-9)14-11(15)8-20-7-6-12(16)17/h2-5H,6-8H2,1H3,(H,14,15)(H,16,17)