4-(4-bromophenyl)-2-[(3-methylphenyl)carbonylamino]thiophene-3-carboxylic acid

Systemtic Name: 4-(4-bromophenyl)-2-[(3-methylphenyl)carbonylamino]thiophene-3-carboxylic acid Openeye Name: 4-(4-bromophenyl)-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid CAS Name: 4-(4-bromophenyl)-2-[[(3-methylphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(4-bromophenyl)-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid Traditional Name: 4-(4-bromophenyl)-2-(m-toluoylamino)-3-thenoic acid Formula: C19H14BrNO3S MolecularWeight: 416.28836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C19H14BrNO3S/c1-11-3-2-4-13(9-11)17(22)21-18-16(19(23)24)15(10-25-18)12-5-7-14(20)8-6-12/h2-10H,1H3,(H,21,22)(H,23,24)