ethyl 1-cyclopropyl-6-fluoranyl-2-methylsulfanyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-6-fluoranyl-2-methylsulfanyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-6-fluoro-2-methylsulfanyl-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-2-(methylthio)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-6-fluoro-2-methylsulfanyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-2-(methylthio)-7-piperazino-quinoline-3-carboxylic acid ethyl ester Formula: C20H24FN3O3S MolecularWeight: 405.486263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C4CC4)SC

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C4CC4)SC

InChI

InChI=1S/C20H24FN3O3S/c1-3-27-20(26)17-18(25)13-10-14(21)16(23-8-6-22-7-9-23)11-15(13)24(12-4-5-12)19(17)28-2/h10-12,22H,3-9H2,1-2H3