O4-[6-(7-chloranyl-1,8-naphthyridin-2-yl)-7-oxidanylidene-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] O1-ethyl piperazine-1,4-dicarboxylate

Systemtic Name: O4-[6-(7-chloranyl-1,8-naphthyridin-2-yl)-7-oxidanylidene-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] O1-ethyl piperazine-1,4-dicarboxylate Openeye Name: O4-[6-(7-chloro-1,8-naphthyridin-2-yl)-7-oxo-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] O1-ethyl piperazine-1,4-dicarboxylate CAS Name: piperazine-1,4-dicarboxylic acid O4-[6-(7-chloro-1,8-naphthyridin-2-yl)-7-oxo-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] ester O1-ethyl ester IUPAC Name: 4-O-[6-(7-chloro-1,8-naphthyridin-2-yl)-7-oxo-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] 1-O-ethyl piperazine-1,4-dicarboxylate Traditional Name: piperazine-1,4-dicarboxylic acid O4-[6-(7-chloro-1,8-naphthyridin-2-yl)-7-keto-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] ester O1-ethyl ester Formula: C22H22ClN5O6S MolecularWeight: 519.95798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl)OCCS3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl)OCCS3

InChI

InChI=1S/C22H22ClN5O6S/c1-2-32-21(30)26-7-9-27(10-8-26)22(31)34-20-17-16(33-11-12-35-17)19(29)28(20)15-6-4-13-3-5-14(23)24-18(13)25-15/h3-6,20H,2,7-12H2,1H3