11-(pyridin-3-ylmethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-3-carboxylic acid

Systemtic Name: 11-(pyridin-3-ylmethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-3-carboxylic acid Openeye Name: 11-(3-pyridylmethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-3-carboxylic acid CAS Name: 11-(3-pyridinylmethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-3-carboxylic acid IUPAC Name: 11-(pyridin-3-ylmethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-3-carboxylic acid Traditional Name: 11-(3-pyridylmethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-3-carboxylic acid Formula: C21H17NO3S MolecularWeight: 363.42958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO3S/c23-21(24)15-7-8-18-19(10-15)25-12-16-5-1-2-6-17(16)20(18)26-13-14-4-3-9-22-11-14/h1-11,20H,12-13H2,(H,23,24)