ethyl 1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylate

Systemtic Name: ethyl 1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylate Openeye Name: ethyl 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1,8-naphthyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylate Traditional Name: 1-(4-fluorobenzyl)-2-keto-4-[4-(2-thenoyl)piperazino]-1,8-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(N=CC=C2)N(C1=O)CC3=CC=C(C=C3)F)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

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

InChI

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