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

Systemtic Name: 3-methoxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid Openeye Name: 3-methoxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid CAS Name: 3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-7-carboxylic acid IUPAC Name: 3-methoxy-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid Traditional Name: 3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-7-carboxylic acid Formula: C16H14O3S MolecularWeight: 286.34556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC3=CC=CC(=C3CC2)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)SC3=CC=CC(=C3CC2)C(=O)O

InChI

InChI=1S/C16H14O3S/c1-19-11-6-8-14-10(9-11)5-7-12-13(16(17)18)3-2-4-15(12)20-14/h2-4,6,8-9H,5,7H2,1H3,(H,17,18)