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

Systemtic Name: ethyl 6-[[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]methyl]thieno[3,2-b]thiophene-5-carboxylate Openeye Name: ethyl 6-[[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]methyl]thieno[3,2-b]thiophene-5-carboxylate CAS Name: 6-[[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]methyl]-5-thieno[3,2-b]thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]methyl]thieno[3,2-b]thiophene-5-carboxylate Traditional Name: 6-[[4-(2-cyanophenyl)sulfonylpiperazino]methyl]thieno[3,2-b]thiophene-5-carboxylic acid ethyl ester Formula: C21H21N3O4S3 MolecularWeight: 475.60414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=CS2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=CS2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H21N3O4S3/c1-2-28-21(25)20-16(19-17(30-20)7-12-29-19)14-23-8-10-24(11-9-23)31(26,27)18-6-4-3-5-15(18)13-22/h3-7,12H,2,8-11,14H2,1H3