3-(2-methoxy-5-phenyl-benzo[b][1]benzothiepin-6-yl)propanoic acid

Systemtic Name: 3-(2-methoxy-5-phenyl-benzo[b][1]benzothiepin-6-yl)propanoic acid Openeye Name: 3-(2-methoxy-5-phenyl-benzo[b][1]benzothiepin-6-yl)propanoic acid CAS Name: 3-(2-methoxy-5-phenyl-6-benzo[b][1]benzothiepinyl)propanoic acid IUPAC Name: 3-(2-methoxy-5-phenylbenzo[b][1]benzothiepin-6-yl)propanoic acid Traditional Name: 3-(2-methoxy-5-phenyl-benzo[b][1]benzothiepin-6-yl)propionic acid Formula: C24H20O3S MolecularWeight: 388.4788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(C3=CC=CC=C3S2)CCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(C3=CC=CC=C3S2)CCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H20O3S/c1-27-17-11-12-20-22(15-17)28-21-10-6-5-9-18(21)19(13-14-23(25)26)24(20)16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3,(H,25,26)