2-[11-(phenylmethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]ethanoic acid

Systemtic Name: 2-[11-(phenylmethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]ethanoic acid Openeye Name: 2-(11-benzylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepin-2-yl)acetic acid CAS Name: 2-[11-(phenylmethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid IUPAC Name: 2-(11-benzylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepin-2-yl)acetic acid Traditional Name: 2-[11-(benzylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid Formula: C23H20O3S MolecularWeight: 376.4681

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)CC(=O)O)SCC4=CC=CC=C4

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)CC(=O)O)SCC4=CC=CC=C4

InChI

InChI=1S/C23H20O3S/c24-22(25)13-17-10-11-21-20(12-17)23(27-15-16-6-2-1-3-7-16)19-9-5-4-8-18(19)14-26-21/h1-12,23H,13-15H2,(H,24,25)