11-[2-(benzimidazol-1-yl)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid

Systemtic Name: 11-[2-(benzimidazol-1-yl)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-[2-(benzimidazol-1-yl)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-[2-(1-benzimidazolyl)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-[2-(benzimidazol-1-yl)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-[2-(benzimidazol-1-yl)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SCCN4C=NC5=CC=CC=C54

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SCCN4C=NC5=CC=CC=C54

InChI

InChI=1S/C24H20N2O3S/c27-24(28)16-9-10-22-19(13-16)23(18-6-2-1-5-17(18)14-29-22)30-12-11-26-15-25-20-7-3-4-8-21(20)26/h1-10,13,15,23H,11-12,14H2,(H,27,28)