5-(4-fluorophenyl)-3-[(4-methylphenyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid

Systemtic Name: 5-(4-fluorophenyl)-3-[(4-methylphenyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-(4-fluorophenyl)-3-[isopropyl-(4-methylbenzoyl)amino]thiophene-2-carboxylic acid CAS Name: 5-(4-fluorophenyl)-3-[[(4-methylphenyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-fluorophenyl)-3-[(4-methylbenzoyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-(4-fluorophenyl)-3-[isopropyl(p-toluoyl)amino]-2-thenoic acid Formula: C22H20FNO3S MolecularWeight: 397.462503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)F)C(=O)O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)F)C(=O)O)C(C)C

InChI

InChI=1S/C22H20FNO3S/c1-13(2)24(21(25)16-6-4-14(3)5-7-16)18-12-19(28-20(18)22(26)27)15-8-10-17(23)11-9-15/h4-13H,1-3H3,(H,26,27)