[6-(7-chloranylquinolin-2-yl)-7-oxidanylidene-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] 4-methylpiperazine-1-carboxylate

Systemtic Name: [6-(7-chloranylquinolin-2-yl)-7-oxidanylidene-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] 4-methylpiperazine-1-carboxylate Openeye Name: [6-(7-chloro-2-quinolyl)-7-oxo-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] 4-methylpiperazine-1-carboxylate CAS Name: 4-methyl-1-piperazinecarboxylic acid [6-(7-chloro-2-quinolinyl)-7-oxo-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] ester IUPAC Name: [6-(7-chloroquinolin-2-yl)-7-oxo-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] 4-methylpiperazine-1-carboxylate Traditional Name: 4-methylpiperazine-1-carboxylic acid [6-(7-chloro-2-quinolyl)-7-keto-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] ester Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=C(C=CC(=C5)Cl)C=C4)OCCS3

Isomeric SMILES

CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=C(C=CC(=C5)Cl)C=C4)OCCS3

InChI

InChI=1S/C21H21ClN4O4S/c1-24-6-8-25(9-7-24)21(28)30-20-18-17(29-10-11-31-18)19(27)26(20)16-5-3-13-2-4-14(22)12-15(13)23-16/h2-5,12,20H,6-11H2,1H3