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

Systemtic Name: 5-[4-(4-chlorophenyl)phenyl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-[4-(4-chlorophenyl)phenyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[4-(4-chlorophenyl)phenyl]-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-[4-(4-chlorophenyl)phenyl]-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-[4-(4-chlorophenyl)phenyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C28H30ClNO3S MolecularWeight: 496.0607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)C(=O)O)C(C)C

InChI

InChI=1S/C28H30ClNO3S/c1-17(2)30(27(31)22-6-4-18(3)5-7-22)24-16-25(34-26(24)28(32)33)21-10-8-19(9-11-21)20-12-14-23(29)15-13-20/h8-18,22H,4-7H2,1-3H3,(H,32,33)