1-[(3,4-dichlorophenyl)methyl]-4-thiophen-2-yl-indole-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-4-thiophen-2-yl-indole-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-4-(2-thienyl)indole-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-4-thiophen-2-yl-2-indolecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-4-thiophen-2-ylindole-2-carboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-4-(2-thienyl)indole-2-carboxylic acid Formula: C20H13Cl2NO2S MolecularWeight: 402.29372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(N(C2=C1)CC3=CC(=C(C=C3)Cl)Cl)C(=O)O)C4=CC=CS4

Isomeric SMILES

C1=CC(=C2C=C(N(C2=C1)CC3=CC(=C(C=C3)Cl)Cl)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C20H13Cl2NO2S/c21-15-7-6-12(9-16(15)22)11-23-17-4-1-3-13(19-5-2-8-26-19)14(17)10-18(23)20(24)25/h1-10H,11H2,(H,24,25)