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

Systemtic Name: 4-[[4-(4-fluorophenyl)-5-methyl-3-propoxycarbonyl-thiophen-2-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[[4-(4-fluorophenyl)-5-methyl-3-propoxycarbonyl-2-thienyl]amino]-4-oxo-but-2-enoic acid CAS Name: 4-[[4-(4-fluorophenyl)-5-methyl-3-[oxo(propoxy)methyl]-2-thiophenyl]amino]-4-oxo-2-butenoic acid IUPAC Name: 4-[[4-(4-fluorophenyl)-5-methyl-3-propoxycarbonylthiophen-2-yl]amino]-4-oxobut-2-enoic acid Traditional Name: 4-[[4-(4-fluorophenyl)-5-methyl-3-propoxycarbonyl-2-thienyl]amino]-4-keto-but-2-enoic acid Formula: C19H18FNO5S MolecularWeight: 391.413323

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)C)NC(=O)C=CC(=O)O

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)C)NC(=O)C=CC(=O)O

InChI

InChI=1S/C19H18FNO5S/c1-3-10-26-19(25)17-16(12-4-6-13(20)7-5-12)11(2)27-18(17)21-14(22)8-9-15(23)24/h4-9H,3,10H2,1-2H3,(H,21,22)(H,23,24)