3-ethoxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid

Systemtic Name: 3-ethoxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid Openeye Name: 3-ethoxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid CAS Name: 3-ethoxy-5,6-dihydrobenzo[b][1]benzothiepin-7-carboxylic acid IUPAC Name: 3-ethoxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid Traditional Name: 3-ethoxy-5,6-dihydrobenzo[b][1]benzothiepin-7-carboxylic acid Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)SC3=CC=CC(=C3CC2)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)SC3=CC=CC(=C3CC2)C(=O)O

InChI

InChI=1S/C17H16O3S/c1-2-20-12-7-9-15-11(10-12)6-8-13-14(17(18)19)4-3-5-16(13)21-15/h3-5,7,9-10H,2,6,8H2,1H3,(H,18,19)