ethyl 6-chloranyl-5-(4-ethanoylpiperazin-1-yl)-2-(methoxymethylsulfanyl)-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-5-(4-ethanoylpiperazin-1-yl)-2-(methoxymethylsulfanyl)-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 5-(4-acetylpiperazin-1-yl)-6-chloro-2-(methoxymethylsulfanyl)-4-oxo-1H-quinoline-3-carboxylate CAS Name: 5-(4-acetyl-1-piperazinyl)-6-chloro-2-(methoxymethylthio)-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-acetylpiperazin-1-yl)-6-chloro-2-(methoxymethylsulfanyl)-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 5-(4-acetylpiperazino)-6-chloro-4-keto-2-(methoxymethylthio)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C20H24ClN3O5S MolecularWeight: 453.93966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1=O)C(=C(C=C2)Cl)N3CCN(CC3)C(=O)C)SCOC

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1=O)C(=C(C=C2)Cl)N3CCN(CC3)C(=O)C)SCOC

InChI

InChI=1S/C20H24ClN3O5S/c1-4-29-20(27)16-18(26)15-14(22-19(16)30-11-28-3)6-5-13(21)17(15)24-9-7-23(8-10-24)12(2)25/h5-6H,4,7-11H2,1-3H3,(H,22,26)