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

Systemtic Name: [3-(7-chloranyl-1,8-naphthyridin-2-yl)-5-oxidanylidene-2,3,6,7-tetrahydro-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-propanoylpiperazine-1-carboxylate Openeye Name: [3-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-2,3,6,7-tetrahydro-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-propanoylpiperazine-1-carboxylate CAS Name: 4-(1-oxopropyl)-1-piperazinecarboxylic acid [3-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-2,3,6,7-tetrahydro-[1,4]dithiino[2,3-c]pyrrol-7-yl] ester IUPAC Name: [3-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-2,3,6,7-tetrahydro-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-propanoylpiperazine-1-carboxylate Traditional Name: 4-propionylpiperazine-1-carboxylic acid [3-(7-chloro-1,8-naphthyridin-2-yl)-5-keto-2,3,6,7-tetrahydro-[1,4]dithiino[2,3-c]pyrrol-7-yl] ester Formula: C22H22ClN5O4S2 MolecularWeight: 520.02418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C(=O)OC2C3=C(C(=O)N2)SC(CS3)C4=NC5=C(C=C4)C=CC(=N5)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C(=O)OC2C3=C(C(=O)N2)SC(CS3)C4=NC5=C(C=C4)C=CC(=N5)Cl

InChI

InChI=1S/C22H22ClN5O4S2/c1-2-16(29)27-7-9-28(10-8-27)22(31)32-21-18-17(20(30)26-21)34-14(11-33-18)13-5-3-12-4-6-15(23)25-19(12)24-13/h3-6,14,21H,2,7-11H2,1H3,(H,26,30)