5-(4-fluorophenyl)-3-[(4-methylcyclohexen-1-yl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid

Systemtic Name: 5-(4-fluorophenyl)-3-[(4-methylcyclohexen-1-yl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-(4-fluorophenyl)-3-[isopropyl-(4-methylcyclohexene-1-carbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-(4-fluorophenyl)-3-[[(4-methyl-1-cyclohexenyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-fluorophenyl)-3-[(4-methylcyclohexene-1-carbonyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-(4-fluorophenyl)-3-[isopropyl-(4-methylcyclohexene-1-carbonyl)amino]-2-thenoic acid Formula: C22H24FNO3S MolecularWeight: 401.494263

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)F)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(=CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)F)C(=O)O)C(C)C

InChI

InChI=1S/C22H24FNO3S/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/h6,8-14H,4-5,7H2,1-3H3,(H,26,27)