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

Systemtic Name: methyl 3-acetamido-6-[(4-ethoxycarbonylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-6-[(4-ethoxycarbonylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-6-[(4-ethoxycarbonyl-1-piperazinyl)methyl]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-6-[(4-ethoxycarbonylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-6-[(4-carbethoxypiperazino)methyl]thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C19H24N4O5S MolecularWeight: 420.48266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O5S/c1-4-28-19(26)23-9-7-22(8-10-23)11-13-5-6-14-15(20-12(2)24)16(18(25)27-3)29-17(14)21-13/h5-6H,4,7-11H2,1-3H3,(H,20,24)