ethyl 2-oxidanylidene-1-phenacyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)thieno[3,4-b]pyridine-3-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-1-phenacyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)thieno[3,4-b]pyridine-3-carboxylate Openeye Name: ethyl 2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,4-b]pyridine-3-carboxylate CAS Name: 2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-phenacyl-3-thieno[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,4-b]pyridine-3-carboxylate Traditional Name: 2-keto-1-phenacyl-4-[4-(2-thenoyl)piperazino]thieno[3,4-b]pyridine-3-carboxylic acid ethyl ester Formula: C27H25N3O5S2 MolecularWeight: 535.6345

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CSC=C2N(C1=O)CC(=O)C3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CCOC(=O)C1=C(C2=CSC=C2N(C1=O)CC(=O)C3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H25N3O5S2/c1-2-35-27(34)23-24(28-10-12-29(13-11-28)25(32)22-9-6-14-37-22)19-16-36-17-20(19)30(26(23)33)15-21(31)18-7-4-3-5-8-18/h3-9,14,16-17H,2,10-13,15H2,1H3