methyl 7-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzothiepine-4-carboxylate

Systemtic Name: methyl 7-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzothiepine-4-carboxylate Openeye Name: methyl 7-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzothiepine-4-carboxylate CAS Name: 7-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzothiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzothiepine-4-carboxylate Traditional Name: 7-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzothiepin-4-carboxylic acid methyl ester Formula: C19H16O4S MolecularWeight: 340.39294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC(=C2)C3=CC4=C(C=C3)OCO4)SCC1

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC(=C2)C3=CC4=C(C=C3)OCO4)SCC1

InChI

InChI=1S/C19H16O4S/c1-21-19(20)14-6-7-24-18-5-3-12(8-15(18)9-14)13-2-4-16-17(10-13)23-11-22-16/h2-5,8-10H,6-7,11H2,1H3