ethyl 6-chloranyl-7-(4-ethanoylpiperazin-1-yl)-2-(methoxymethylsulfanyl)-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-7-(4-ethanoylpiperazin-1-yl)-2-(methoxymethylsulfanyl)-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 7-(4-acetylpiperazin-1-yl)-6-chloro-2-(methoxymethylsulfanyl)-4-oxo-1H-quinoline-3-carboxylate CAS Name: 7-(4-acetyl-1-piperazinyl)-6-chloro-2-(methoxymethylthio)-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-acetylpiperazin-1-yl)-6-chloro-2-(methoxymethylsulfanyl)-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 7-(4-acetylpiperazino)-6-chloro-4-keto-2-(methoxymethylthio)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C20H24ClN3O5S MolecularWeight: 453.93966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(=C(C=C2C1=O)Cl)N3CCN(CC3)C(=O)C)SCOC

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(=C(C=C2C1=O)Cl)N3CCN(CC3)C(=O)C)SCOC

InChI

InChI=1S/C20H24ClN3O5S/c1-4-29-20(27)17-18(26)13-9-14(21)16(10-15(13)22-19(17)30-11-28-3)24-7-5-23(6-8-24)12(2)25/h9-10H,4-8,11H2,1-3H3,(H,22,26)