ethyl 4-(ethylamino)-3-(thieno[3,2-b][1]benzothiol-2-ylcarbonylamino)benzoate

Systemtic Name: ethyl 4-(ethylamino)-3-(thieno[3,2-b][1]benzothiol-2-ylcarbonylamino)benzoate Openeye Name: ethyl 4-(ethylamino)-3-(thieno[3,2-b]benzothiophene-2-carbonylamino)benzoate CAS Name: 4-(ethylamino)-3-[[oxo(2-thieno[3,2-b][1]benzothiolyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(ethylamino)-3-(thieno[3,2-b][1]benzothiole-2-carbonylamino)benzoate Traditional Name: 4-(ethylamino)-3-(thieno[3,2-b]benzothiophene-2-carbonylamino)benzoic acid ethyl ester Formula: C22H20N2O3S2 MolecularWeight: 424.5358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4S3

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4S3

InChI

InChI=1S/C22H20N2O3S2/c1-3-23-15-10-9-13(22(26)27-4-2)11-16(15)24-21(25)19-12-18-20(29-19)14-7-5-6-8-17(14)28-18/h5-12,23H,3-4H2,1-2H3,(H,24,25)