ethyl 1-[(3-fluorophenyl)methyl]-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)-1,6-naphthyridine-3-carboxylate

Systemtic Name: ethyl 1-[(3-fluorophenyl)methyl]-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)-1,6-naphthyridine-3-carboxylate Openeye Name: ethyl 1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,6-naphthyridine-3-carboxylate CAS Name: 1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1,6-naphthyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,6-naphthyridine-3-carboxylate Traditional Name: 1-(3-fluorobenzyl)-2-keto-4-[4-(2-thenoyl)piperazino]-1,6-naphthyridine-3-carboxylic acid ethyl ester Formula: C27H25FN4O4S MolecularWeight: 520.575203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CN=C2)N(C1=O)CC3=CC(=CC=C3)F)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CN=C2)N(C1=O)CC3=CC(=CC=C3)F)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H25FN4O4S/c1-2-36-27(35)23-24(30-10-12-31(13-11-30)25(33)22-7-4-14-37-22)20-16-29-9-8-21(20)32(26(23)34)17-18-5-3-6-19(28)15-18/h3-9,14-16H,2,10-13,17H2,1H3