(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C13H10Cl2N2O4S MolecularWeight: 361.2005

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCC3=C(SN=N3)Cl)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCC3=C(SN=N3)Cl)Cl)OC1

InChI

InChI=1S/C13H10Cl2N2O4S/c14-8-4-7(5-10-11(8)20-3-1-2-19-10)13(18)21-6-9-12(15)22-17-16-9/h4-5H,1-3,6H2