4-[(4,5-dimethyl-3-propoxycarbonyl-thiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[(4,5-dimethyl-3-propoxycarbonyl-thiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[(4,5-dimethyl-3-propoxycarbonyl-2-thienyl)amino]-4-oxo-but-2-enoic acid CAS Name: 4-[[4,5-dimethyl-3-[oxo(propoxy)methyl]-2-thiophenyl]amino]-4-oxo-2-butenoic acid IUPAC Name: 4-[(4,5-dimethyl-3-propoxycarbonylthiophen-2-yl)amino]-4-oxobut-2-enoic acid Traditional Name: 4-[(4,5-dimethyl-3-propoxycarbonyl-2-thienyl)amino]-4-keto-but-2-enoic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C)NC(=O)C=CC(=O)O

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C)NC(=O)C=CC(=O)O

InChI

InChI=1S/C14H17NO5S/c1-4-7-20-14(19)12-8(2)9(3)21-13(12)15-10(16)5-6-11(17)18/h5-6H,4,7H2,1-3H3,(H,15,16)(H,17,18)