[6-(5-chloranyl-1,8-naphthyridin-2-yl)-5-oxidanylidene-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-methylpiperazine-1-carboxylate

Systemtic Name: [6-(5-chloranyl-1,8-naphthyridin-2-yl)-5-oxidanylidene-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-methylpiperazine-1-carboxylate Openeye Name: [6-(5-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-methylpiperazine-1-carboxylate CAS Name: 4-methyl-1-piperazinecarboxylic acid [6-(5-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] ester IUPAC Name: [6-(5-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-methylpiperazine-1-carboxylate Traditional Name: 4-methylpiperazine-1-carboxylic acid [6-(5-chloro-1,8-naphthyridin-2-yl)-5-keto-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] ester Formula: C20H20ClN5O3S2 MolecularWeight: 477.9875

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3

Isomeric SMILES

CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3

InChI

InChI=1S/C20H20ClN5O3S2/c1-24-6-8-25(9-7-24)20(28)29-19-16-15(30-10-11-31-16)18(27)26(19)14-3-2-12-13(21)4-5-22-17(12)23-14/h2-5,19H,6-11H2,1H3