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

Systemtic Name: 5-(4-fluorophenyl)-3-[(4-methyl-2-oxidanyl-cyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-(4-fluorophenyl)-3-[(2-hydroxy-4-methyl-cyclohexanecarbonyl)-isopropyl-amino]thiophene-2-carboxylic acid CAS Name: 5-(4-fluorophenyl)-3-[[(2-hydroxy-4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-fluorophenyl)-3-[(2-hydroxy-4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-(4-fluorophenyl)-3-[(2-hydroxy-4-methyl-cyclohexanecarbonyl)-isopropyl-amino]-2-thenoic acid Formula: C22H26FNO4S MolecularWeight: 419.509543

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)O)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)F)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(C(C1)O)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)F)C(=O)O)C(C)C

InChI

InChI=1S/C22H26FNO4S/c1-12(2)24(21(26)16-9-4-13(3)10-18(16)25)17-11-19(29-20(17)22(27)28)14-5-7-15(23)8-6-14/h5-8,11-13,16,18,25H,4,9-10H2,1-3H3,(H,27,28)