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

Systemtic Name: [6-(7-chloranyl-1,8-naphthyridin-2-yl)-5-oxidanylidene-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-butanoylpiperazine-1-carboxylate Openeye Name: [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-butanoylpiperazine-1-carboxylate CAS Name: 4-(1-oxobutyl)-1-piperazinecarboxylic acid [6-(7-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-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-butanoylpiperazine-1-carboxylate Traditional Name: 4-butyrylpiperazine-1-carboxylic acid [6-(7-chloro-1,8-naphthyridin-2-yl)-5-keto-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] ester Formula: C23H24ClN5O4S2 MolecularWeight: 534.05076

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl)SCCS3

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl)SCCS3

InChI

InChI=1S/C23H24ClN5O4S2/c1-2-3-17(30)27-8-10-28(11-9-27)23(32)33-22-19-18(34-12-13-35-19)21(31)29(22)16-7-5-14-4-6-15(24)25-20(14)26-16/h4-7,22H,2-3,8-13H2,1H3