methyl 2-(azocan-1-ylsulfonyl)-6-(3-methylphenyl)carbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 2-(azocan-1-ylsulfonyl)-6-(3-methylphenyl)carbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-(azocan-1-ylsulfonyl)-6-(3-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-(1-azocanylsulfonyl)-6-[(3-methylphenyl)-oxomethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(azocan-1-ylsulfonyl)-6-(3-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(azocan-1-ylsulfonyl)-6-m-toluoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C24H30N2O5S2 MolecularWeight: 490.6354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCCCCC4

InChI

InChI=1S/C24H30N2O5S2/c1-17-9-8-10-18(15-17)22(27)25-14-11-19-20(16-25)32-24(21(19)23(28)31-2)33(29,30)26-12-6-4-3-5-7-13-26/h8-10,15H,3-7,11-14,16H2,1-2H3