[6-(7-chloranyl-1,8-naphthyridin-2-yl)-5-oxidanylidene-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-(2-methylprop-2-enoyl)piperazine-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-(2-methylprop-2-enoyl)piperazine-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-(2-methylprop-2-enoyl)piperazine-1-carboxylate CAS Name: 4-(2-methyl-1-oxoprop-2-enyl)-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-(2-methylprop-2-enoyl)piperazine-1-carboxylate Traditional Name: 4-methacryloylpiperazine-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: C23H22ClN5O4S2 MolecularWeight: 532.03488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN5O4S2/c1-13(2)20(30)27-7-9-28(10-8-27)23(32)33-22-18-17(34-11-12-35-18)21(31)29(22)16-6-4-14-3-5-15(24)25-19(14)26-16/h3-6,22H,1,7-12H2,2H3