4-(4-chlorophenyl)carbonyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylic acid

Systemtic Name: 4-(4-chlorophenyl)carbonyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylic acid Openeye Name: 4-(4-chlorobenzoyl)-5-(4-methyl-1-piperidyl)thiophene-2-carboxylic acid CAS Name: 4-[(4-chlorophenyl)-oxomethyl]-5-(4-methyl-1-piperidinyl)-2-thiophenecarboxylic acid IUPAC Name: 4-(4-chlorobenzoyl)-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylic acid Traditional Name: 4-(4-chlorobenzoyl)-5-(4-methylpiperidino)-2-thenoic acid Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(S2)C(=O)O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(S2)C(=O)O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClNO3S/c1-11-6-8-20(9-7-11)17-14(10-15(24-17)18(22)23)16(21)12-2-4-13(19)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,22,23)