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

Systemtic Name: 2-(1-benzothiophen-2-yl)-6-ethoxy-quinoline-4-carboxylic acid Openeye Name: 2-(benzothiophen-2-yl)-6-ethoxy-quinoline-4-carboxylic acid CAS Name: 2-(1-benzothiophen-2-yl)-6-ethoxy-4-quinolinecarboxylic acid IUPAC Name: 2-(1-benzothiophen-2-yl)-6-ethoxyquinoline-4-carboxylic acid Traditional Name: 2-(benzothiophen-2-yl)-6-ethoxy-cinchoninic acid Formula: C20H15NO3S MolecularWeight: 349.403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C20H15NO3S/c1-2-24-13-7-8-16-14(10-13)15(20(22)23)11-17(21-16)19-9-12-5-3-4-6-18(12)25-19/h3-11H,2H2,1H3,(H,22,23)