5-(4-chlorophenyl)-3-[(4-methyl-1-propan-2-yl-cyclohexyl)carbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)-3-[(4-methyl-1-propan-2-yl-cyclohexyl)carbonylamino]thiophene-2-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-3-[(1-isopropyl-4-methyl-cyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-(4-chlorophenyl)-3-[[(4-methyl-1-propan-2-ylcyclohexyl)-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-3-[(4-methyl-1-propan-2-ylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid Traditional Name: 5-(4-chlorophenyl)-3-[(1-isopropyl-4-methyl-cyclohexanecarbonyl)amino]-2-thenoic acid Formula: C22H26ClNO3S MolecularWeight: 419.96474

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(C)C)C(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1CCC(CC1)(C(C)C)C(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C22H26ClNO3S/c1-13(2)22(10-8-14(3)9-11-22)21(27)24-17-12-18(28-19(17)20(25)26)15-4-6-16(23)7-5-15/h4-7,12-14H,8-11H2,1-3H3,(H,24,27)(H,25,26)