methyl 5-[4-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C20H24N2O5S3 MolecularWeight: 468.60996

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=CS4)C(=O)OC

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=CS4)C(=O)OC

InChI

InChI=1S/C20H24N2O5S3/c1-13-3-4-16-14(9-13)10-17(29-16)19(23)21-5-7-22(8-6-21)30(25,26)18-11-15(12-28-18)20(24)27-2/h10-13H,3-9H2,1-2H3