methyl 5-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C19H22N2O5S3 MolecularWeight: 454.58338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CSC4=C3CCCC4

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CSC4=C3CCCC4

InChI

InChI=1S/C19H22N2O5S3/c1-26-19(23)13-10-17(28-11-13)29(24,25)21-8-6-20(7-9-21)18(22)15-12-27-16-5-3-2-4-14(15)16/h10-12H,2-9H2,1H3