3-[(2,4-dichlorophenyl)carbonyl-(2-methoxycyclohexyl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-(2-methoxycyclohexyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dichlorobenzoyl)-(2-methoxycyclohexyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-(2-methoxycyclohexyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-(2-methoxycyclohexyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dichlorobenzoyl)-(2-methoxycyclohexyl)amino]-5-phenyl-2-thenoic acid Formula: C25H23Cl2NO4S MolecularWeight: 504.42542

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCCC1N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

COC1CCCCC1N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H23Cl2NO4S/c1-32-21-10-6-5-9-19(21)28(24(29)17-12-11-16(26)13-18(17)27)20-14-22(33-23(20)25(30)31)15-7-3-2-4-8-15/h2-4,7-8,11-14,19,21H,5-6,9-10H2,1H3,(H,30,31)