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

Systemtic Name: 5-(3-fluorophenyl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-(3-fluorophenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-(3-fluorophenyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(3-fluorophenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-(3-fluorophenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C22H26FNO3S MolecularWeight: 403.510143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO3S/c1-13(2)24(21(25)15-9-7-14(3)8-10-15)18-12-19(28-20(18)22(26)27)16-5-4-6-17(23)11-16/h4-6,11-15H,7-10H2,1-3H3,(H,26,27)