6-[2-(oxan-3-yloxy)ethoxy]-5,6-dihydrobenzo[b][1]benzothiepine-4-carboxylic acid

Systemtic Name: 6-[2-(oxan-3-yloxy)ethoxy]-5,6-dihydrobenzo[b][1]benzothiepine-4-carboxylic acid Openeye Name: 6-(2-tetrahydropyran-3-yloxyethoxy)-5,6-dihydrobenzo[b][1]benzothiepine-4-carboxylic acid CAS Name: 6-[2-(3-oxanyloxy)ethoxy]-5,6-dihydrobenzo[b][1]benzothiepin-4-carboxylic acid IUPAC Name: 6-[2-(oxan-3-yloxy)ethoxy]-5,6-dihydrobenzo[b][1]benzothiepine-4-carboxylic acid Traditional Name: 6-(2-tetrahydropyran-3-yloxyethoxy)-5,6-dihydrobenzo[b][1]benzothiepin-4-carboxylic acid Formula: C22H24O5S MolecularWeight: 400.48796

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(COC1)OCCOC2CC3=C(C=CC=C3SC4=CC=CC=C24)C(=O)O

Isomeric SMILES

C1CC(COC1)OCCOC2CC3=C(C=CC=C3SC4=CC=CC=C24)C(=O)O

InChI

InChI=1S/C22H24O5S/c23-22(24)16-7-3-9-21-18(16)13-19(17-6-1-2-8-20(17)28-21)27-12-11-26-15-5-4-10-25-14-15/h1-3,6-9,15,19H,4-5,10-14H2,(H,23,24)