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

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-(3-methylbut-2-enyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dichlorobenzoyl)-(3-methylbut-2-enyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-(3-methylbut-2-enyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-(3-methylbut-2-enyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dichlorobenzoyl)-(3-methylbut-2-enyl)amino]-5-phenyl-2-thenoic acid Formula: C23H19Cl2NO3S MolecularWeight: 460.37286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CC(=CCN(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C23H19Cl2NO3S/c1-14(2)10-11-26(22(27)17-9-8-16(24)12-18(17)25)19-13-20(30-21(19)23(28)29)15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,28,29)