11-pyridin-4-ylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid

Systemtic Name: 11-pyridin-4-ylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-(4-pyridylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-(pyridin-4-ylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-pyridin-4-ylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-(4-pyridylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid Formula: C20H15NO3S MolecularWeight: 349.403

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SC4=CC=NC=C4

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SC4=CC=NC=C4

InChI

InChI=1S/C20H15NO3S/c22-20(23)13-5-6-18-17(11-13)19(25-15-7-9-21-10-8-15)16-4-2-1-3-14(16)12-24-18/h1-11,19H,12H2,(H,22,23)