3-(5-chloranylthiophen-2-yl)-2-[(4-chlorophenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 3-(5-chloranylthiophen-2-yl)-2-[(4-chlorophenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)methyl]-3-(5-chloro-2-thienyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methyl]-3-(5-chloro-2-thiophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 2-(4-chlorobenzyl)-3-(5-chloro-2-thienyl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C21H15Cl2NO3S MolecularWeight: 432.3197

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(N(C2=O)CC3=CC=C(C=C3)Cl)C4=CC=C(S4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C(N(C2=O)CC3=CC=C(C=C3)Cl)C4=CC=C(S4)Cl)C(=O)O

InChI

InChI=1S/C21H15Cl2NO3S/c22-13-7-5-12(6-8-13)11-24-19(16-9-10-17(23)28-16)18(21(26)27)14-3-1-2-4-15(14)20(24)25/h1-10,18-19H,11H2,(H,26,27)