[6-(7-methyl-1,8-naphthyridin-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-methyl-1,8-naphthyridin-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-methyl-1,8-naphthyridin-2-yl)-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-methyl-1,8-naphthyridin-2-yl)-7-oxo-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] ester IUPAC Name: [6-(7-methyl-1,8-naphthyridin-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 [7-keto-6-(7-methyl-1,8-naphthyridin-2-yl)-3,5-dihydro-2H-[1,4]oxathiino[2,3-c]pyrrol-5-yl] ester Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC(=N2)N3C(C4=C(C3=O)OCCS4)OC(=O)N5CCN(CC5)C

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC(=N2)N3C(C4=C(C3=O)OCCS4)OC(=O)N5CCN(CC5)C

InChI

InChI=1S/C21H23N5O4S/c1-13-3-4-14-5-6-15(23-18(14)22-13)26-19(27)16-17(31-12-11-29-16)20(26)30-21(28)25-9-7-24(2)8-10-25/h3-6,20H,7-12H2,1-2H3