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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl thiophene-2-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C15H13ClO4S MolecularWeight: 324.77932

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)C3=CC=CS3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)C3=CC=CS3)Cl)OC1

InChI

InChI=1S/C15H13ClO4S/c16-11-7-10(8-12-14(11)19-5-2-4-18-12)9-20-15(17)13-3-1-6-21-13/h1,3,6-8H,2,4-5,9H2