2-[(4-chlorophenyl)methyl]-3-oxidanyl-8-thiophen-3-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-oxidanyl-8-thiophen-3-yl-quinoline-4-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-8-(3-thienyl)quinoline-4-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-8-(3-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-8-thiophen-3-ylquinoline-4-carboxylic acid Traditional Name: 2-(4-chlorobenzyl)-3-hydroxy-8-(3-thienyl)cinchoninic acid Formula: C21H14ClNO3S MolecularWeight: 395.85876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(N=C2C(=C1)C3=CSC=C3)CC4=CC=C(C=C4)Cl)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C(N=C2C(=C1)C3=CSC=C3)CC4=CC=C(C=C4)Cl)O)C(=O)O

InChI

InChI=1S/C21H14ClNO3S/c22-14-6-4-12(5-7-14)10-17-20(24)18(21(25)26)16-3-1-2-15(19(16)23-17)13-8-9-27-11-13/h1-9,11,24H,10H2,(H,25,26)