3-[2-(2,4-dichlorophenyl)-2-oxidanylidene-1-piperidin-4-yl-ethyl]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[2-(2,4-dichlorophenyl)-2-oxidanylidene-1-piperidin-4-yl-ethyl]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[2-(2,4-dichlorophenyl)-2-oxo-1-(4-piperidyl)ethyl]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[2-(2,4-dichlorophenyl)-2-oxo-1-(4-piperidinyl)ethyl]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[2-(2,4-dichlorophenyl)-2-oxo-1-piperidin-4-ylethyl]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[2-(2,4-dichlorophenyl)-2-keto-1-(4-piperidyl)ethyl]-5-phenyl-2-thenoic acid Formula: C24H21Cl2NO3S MolecularWeight: 474.39944

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CNCCC1C(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H21Cl2NO3S/c25-16-6-7-17(19(26)12-16)22(28)21(15-8-10-27-11-9-15)18-13-20(31-23(18)24(29)30)14-4-2-1-3-5-14/h1-7,12-13,15,21,27H,8-11H2,(H,29,30)