methyl 3-benzamido-6-[(4-ethanoylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-benzamido-6-[(4-ethanoylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 6-[(4-acetylpiperazin-1-yl)methyl]-3-benzamido-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 6-[(4-acetyl-1-piperazinyl)methyl]-3-benzamido-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(4-acetylpiperazin-1-yl)methyl]-3-benzamidothieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-[(4-acetylpiperazino)methyl]-3-benzamido-thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O4S/c1-15(28)27-12-10-26(11-13-27)14-17-8-9-18-19(20(23(30)31-2)32-22(18)24-17)25-21(29)16-6-4-3-5-7-16/h3-9H,10-14H2,1-2H3,(H,25,29)