diethyl 1,3-dithiophen-2-ylbenzo[f][2]benzothiole-6,7-dicarboxylate

Systemtic Name: diethyl 1,3-dithiophen-2-ylbenzo[f][2]benzothiole-6,7-dicarboxylate Openeye Name: diethyl 1,3-bis(2-thienyl)benzo[f][2]benzothiole-6,7-dicarboxylate CAS Name: 1,3-dithiophen-2-ylbenzo[f][2]benzothiole-6,7-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1,3-dithiophen-2-ylbenzo[f][2]benzothiole-6,7-dicarboxylate Traditional Name: 1,3-bis(2-thienyl)benz[f]isobenzothiophene-6,7-dicarboxylic acid diethyl ester Formula: C26H20O4S3 MolecularWeight: 492.6296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=CC3=C(SC(=C3C=C2C=C1C(=O)OCC)C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

CCOC(=O)C1=CC2=CC3=C(SC(=C3C=C2C=C1C(=O)OCC)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C26H20O4S3/c1-3-29-25(27)19-13-15-11-17-18(12-16(15)14-20(19)26(28)30-4-2)24(22-8-6-10-32-22)33-23(17)21-7-5-9-31-21/h5-14H,3-4H2,1-2H3