ethyl 6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]thieno[3,2-b]thiophene-5-carboxylate

Systemtic Name: ethyl 6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]thieno[3,2-b]thiophene-5-carboxylate Openeye Name: ethyl 6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]thieno[3,2-b]thiophene-5-carboxylate CAS Name: 6-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-5-thieno[3,2-b]thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]thieno[3,2-b]thiophene-5-carboxylate Traditional Name: 6-[[4-(4-nitrophenyl)piperazino]methyl]thieno[3,2-b]thiophene-5-carboxylic acid ethyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=CS2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=CS2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S2/c1-2-27-20(24)19-16(18-17(29-19)7-12-28-18)13-21-8-10-22(11-9-21)14-3-5-15(6-4-14)23(25)26/h3-7,12H,2,8-11,13H2,1H3