3-[[1-(3-chlorophenyl)-2-oxidanylidene-pentyl]amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[1-(3-chlorophenyl)-2-oxidanylidene-pentyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[1-(3-chlorophenyl)-2-oxo-pentyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[1-(3-chlorophenyl)-2-oxopentyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[1-(3-chlorophenyl)-2-oxopentyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[1-(3-chlorophenyl)-2-keto-pentyl]amino]-5-phenyl-2-thenoic acid Formula: C22H20ClNO3S MolecularWeight: 413.9171

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C1=CC(=CC=C1)Cl)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC(=O)C(C1=CC(=CC=C1)Cl)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H20ClNO3S/c1-2-7-18(25)20(15-10-6-11-16(23)12-15)24-17-13-19(28-21(17)22(26)27)14-8-4-3-5-9-14/h3-6,8-13,20,24H,2,7H2,1H3,(H,26,27)