ethyl 3,4-dimethyl-6-[4-(phenylsulfonyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: ethyl 3,4-dimethyl-6-[4-(phenylsulfonyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 6-[4-(benzenesulfonyl)piperazin-1-yl]-3,4-dimethyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 6-[4-(benzenesulfonyl)-1-piperazinyl]-3,4-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzenesulfonyl)piperazin-1-yl]-3,4-dimethylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-(4-besylpiperazino)-3,4-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(C=C2C)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(C=C2C)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H25N3O4S2/c1-4-29-22(26)20-16(3)19-15(2)14-18(23-21(19)30-20)24-10-12-25(13-11-24)31(27,28)17-8-6-5-7-9-17/h5-9,14H,4,10-13H2,1-3H3