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

Systemtic Name: 4-[[2,5-diethoxy-4-(thiophen-2-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2,5-diethoxy-4-(thiophene-2-carbonylamino)anilino]-4-oxo-butanoic acid CAS Name: 4-[2,5-diethoxy-4-[[oxo(thiophen-2-yl)methyl]amino]anilino]-4-oxobutanoic acid IUPAC Name: 4-[2,5-diethoxy-4-(thiophene-2-carbonylamino)anilino]-4-oxobutanoic acid Traditional Name: 4-[2,5-diethoxy-4-(2-thenoylamino)anilino]-4-keto-butyric acid Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OCC)NC(=O)CCC(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OCC)NC(=O)CCC(=O)O

InChI

InChI=1S/C19H22N2O6S/c1-3-26-14-11-13(21-19(25)16-6-5-9-28-16)15(27-4-2)10-12(14)20-17(22)7-8-18(23)24/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,20,22)(H,21,25)(H,23,24)