4-[[2,5-dimethoxy-4-(thiophen-2-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2,5-dimethoxy-4-(thiophen-2-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)anilino]-4-oxo-butanoic acid CAS Name: 4-[2,5-dimethoxy-4-[[oxo(thiophen-2-yl)methyl]amino]anilino]-4-oxobutanoic acid IUPAC Name: 4-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)anilino]-4-oxobutanoic acid Traditional Name: 4-[2,5-dimethoxy-4-(2-thenoylamino)anilino]-4-keto-butyric acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OC)NC(=O)CCC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OC)NC(=O)CCC(=O)O

InChI

InChI=1S/C17H18N2O6S/c1-24-12-9-11(19-17(23)14-4-3-7-26-14)13(25-2)8-10(12)18-15(20)5-6-16(21)22/h3-4,7-9H,5-6H2,1-2H3,(H,18,20)(H,19,23)(H,21,22)