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

Systemtic Name: ethyl 6-chloranyl-1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 6-chloro-1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 6-chloro-1-(4-fluorobenzyl)-2-keto-4-[4-(2-thenoyl)piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C28H25ClFN3O4S MolecularWeight: 554.032203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25ClFN3O4S/c1-2-37-28(36)24-25(31-11-13-32(14-12-31)26(34)23-4-3-15-38-23)21-16-19(29)7-10-22(21)33(27(24)35)17-18-5-8-20(30)9-6-18/h3-10,15-16H,2,11-14,17H2,1H3