3-oxidanylpropyl 1-(2-chloranyl-6-fluoranyl-phenyl)-6,6,11,11-tetrakis(oxidanylidene)-4,5-dihydro-1H-[1,5]benzodithiepino[3,4-b]pyridine-2-carboxylate

Systemtic Name: 3-oxidanylpropyl 1-(2-chloranyl-6-fluoranyl-phenyl)-6,6,11,11-tetrakis(oxidanylidene)-4,5-dihydro-1H-[1,5]benzodithiepino[3,4-b]pyridine-2-carboxylate Openeye Name: 3-hydroxypropyl 1-(2-chloro-6-fluoro-phenyl)-6,6,11,11-tetraoxo-4,5-dihydro-1H-[1,5]benzodithiepino[3,4-b]pyridine-2-carboxylate CAS Name: 1-(2-chloro-6-fluorophenyl)-6,6,11,11-tetraoxo-4,5-dihydro-1H-[1,5]benzodithiepino[3,4-b]pyridine-2-carboxylic acid 3-hydroxypropyl ester IUPAC Name: 3-hydroxypropyl 1-(2-chloro-6-fluorophenyl)-6,6,11,11-tetraoxo-4,5-dihydro-1H-[1,5]benzodithiepino[3,4-b]pyridine-2-carboxylate Traditional Name: 1-(2-chloro-6-fluoro-phenyl)-6,6,11,11-tetraketo-4,5-dihydro-1H-[1,5]benzodithiepino[3,4-b]pyridine-2-carboxylic acid 3-hydroxypropyl ester Formula: C22H19ClFNO7S2 MolecularWeight: 527.970163

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(C(=CN2)C(=O)OCCCO)C3=C(C=CC=C3Cl)F)S(=O)(=O)C4=CC=CC=C4S1(=O)=O

Isomeric SMILES

C1C2=C(C(C(=CN2)C(=O)OCCCO)C3=C(C=CC=C3Cl)F)S(=O)(=O)C4=CC=CC=C4S1(=O)=O

InChI

InChI=1S/C22H19ClFNO7S2/c23-14-5-3-6-15(24)20(14)19-13(22(27)32-10-4-9-26)11-25-16-12-33(28,29)17-7-1-2-8-18(17)34(30,31)21(16)19/h1-3,5-8,11,19,25-26H,4,9-10,12H2