methyl (11E)-11-[2-(2-methylsulfanylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl (11E)-11-[2-(2-methylsulfanylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl (11E)-11-[2-(2-methylsulfanylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11E)-11-[2-[2-(methylthio)-1-benzimidazolyl]ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl (11E)-11-[2-(2-methylsulfanylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11E)-11-[2-[2-(methylthio)benzimidazol-1-yl]ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2=CCN4C5=CC=CC=C5N=C4SC

Isomeric SMILES

COC(=O)C1=CC\2=C(C=C1)OCC3=CC=CC=C3/C2=C\CN4C5=CC=CC=C5N=C4SC

InChI

InChI=1S/C26H22N2O3S/c1-30-25(29)17-11-12-24-21(15-17)20(19-8-4-3-7-18(19)16-31-24)13-14-28-23-10-6-5-9-22(23)27-26(28)32-2/h3-13,15H,14,16H2,1-2H3/b20-13+