ethyl 4-[(3-fluorophenyl)methyl]-5-oxidanylidene-7-piperazin-1-yl-thieno[3,2-b]pyridine-6-carboxylate

Systemtic Name: ethyl 4-[(3-fluorophenyl)methyl]-5-oxidanylidene-7-piperazin-1-yl-thieno[3,2-b]pyridine-6-carboxylate Openeye Name: ethyl 4-[(3-fluorophenyl)methyl]-5-oxo-7-piperazin-1-yl-thieno[3,2-b]pyridine-6-carboxylate CAS Name: 4-[(3-fluorophenyl)methyl]-5-oxo-7-(1-piperazinyl)-6-thieno[3,2-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorophenyl)methyl]-5-oxo-7-piperazin-1-ylthieno[3,2-b]pyridine-6-carboxylate Traditional Name: 4-(3-fluorobenzyl)-5-keto-7-piperazino-thieno[3,2-b]pyridine-6-carboxylic acid ethyl ester Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CS2)N(C1=O)CC3=CC(=CC=C3)F)N4CCNCC4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CS2)N(C1=O)CC3=CC(=CC=C3)F)N4CCNCC4

InChI

InChI=1S/C21H22FN3O3S/c1-2-28-21(27)17-18(24-9-7-23-8-10-24)19-16(6-11-29-19)25(20(17)26)13-14-4-3-5-15(22)12-14/h3-6,11-12,23H,2,7-10,13H2,1H3