methyl 11-[2-(1-methylbenzimidazol-2-yl)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-[2-(1-methylbenzimidazol-2-yl)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-[2-(1-methylbenzimidazol-2-yl)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-[2-(1-methyl-2-benzimidazolyl)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-[2-(1-methylbenzimidazol-2-yl)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-[2-(1-methylbenzimidazol-2-yl)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CCSC3C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CCSC3C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)OC

InChI

InChI=1S/C26H24N2O3S/c1-28-22-10-6-5-9-21(22)27-24(28)13-14-32-25-19-8-4-3-7-18(19)16-31-23-12-11-17(15-20(23)25)26(29)30-2/h3-12,15,25H,13-14,16H2,1-2H3