[6-(7-chloranyl-1,8-naphthyridin-2-yl)-5-oxidanylidene-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-ethanoylpiperazine-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-ethanoylpiperazine-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-acetylpiperazine-1-carboxylate CAS Name: 4-acetyl-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-acetylpiperazine-1-carboxylate Traditional Name: 4-acetylpiperazine-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: C21H20ClN5O4S2 MolecularWeight: 505.9976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O4S2/c1-12(28)25-6-8-26(9-7-25)21(30)31-20-17-16(32-10-11-33-17)19(29)27(20)15-5-3-13-2-4-14(22)23-18(13)24-15/h2-5,20H,6-11H2,1H3