4-(4-bromophenyl)-2-[(3-fluoranyl-4-methoxy-phenyl)carbonylamino]thiophene-3-carboxylic acid

Systemtic Name: 4-(4-bromophenyl)-2-[(3-fluoranyl-4-methoxy-phenyl)carbonylamino]thiophene-3-carboxylic acid Openeye Name: 4-(4-bromophenyl)-2-[(3-fluoro-4-methoxy-benzoyl)amino]thiophene-3-carboxylic acid CAS Name: 4-(4-bromophenyl)-2-[[(3-fluoro-4-methoxyphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(4-bromophenyl)-2-[(3-fluoro-4-methoxybenzoyl)amino]thiophene-3-carboxylic acid Traditional Name: 4-(4-bromophenyl)-2-[(3-fluoro-4-methoxy-benzoyl)amino]-3-thenoic acid Formula: C19H13BrFNO4S MolecularWeight: 450.278223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)O)F

InChI

InChI=1S/C19H13BrFNO4S/c1-26-15-7-4-11(8-14(15)21)17(23)22-18-16(19(24)25)13(9-27-18)10-2-5-12(20)6-3-10/h2-9H,1H3,(H,22,23)(H,24,25)