2-(1-benzothiophen-2-yl)-6-ethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(1-benzothiophen-2-yl)-6-ethyl-quinoline-4-carboxylic acid Openeye Name: 2-(benzothiophen-2-yl)-6-ethyl-quinoline-4-carboxylic acid CAS Name: 2-(1-benzothiophen-2-yl)-6-ethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(1-benzothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid Traditional Name: 2-(benzothiophen-2-yl)-6-ethyl-cinchoninic acid Formula: C20H15NO2S MolecularWeight: 333.4036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C20H15NO2S/c1-2-12-7-8-16-14(9-12)15(20(22)23)11-17(21-16)19-10-13-5-3-4-6-18(13)24-19/h3-11H,2H2,1H3,(H,22,23)