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

Systemtic Name: (11E)-11-[2-(2-methylsulfanylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: (11E)-11-[2-(2-methylsulfanylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid CAS Name: (11E)-11-[2-[2-(methylthio)-1-benzimidazolyl]ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: (11E)-11-[2-(2-methylsulfanylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: (11E)-11-[2-[2-(methylthio)benzimidazol-1-yl]ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2N1CC=C3C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)O

Isomeric SMILES

CSC1=NC2=CC=CC=C2N1C/C=C/3\C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)O

InChI

InChI=1S/C25H20N2O3S/c1-31-25-26-21-8-4-5-9-22(21)27(25)13-12-19-18-7-3-2-6-17(18)15-30-23-11-10-16(24(28)29)14-20(19)23/h2-12,14H,13,15H2,1H3,(H,28,29)/b19-12+