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

Systemtic Name: 11-[2-(1-methylbenzimidazol-2-yl)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-[2-(1-methylbenzimidazol-2-yl)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-[2-(1-methyl-2-benzimidazolyl)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-[2-(1-methylbenzimidazol-2-yl)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-[2-(1-methylbenzimidazol-2-yl)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O3S/c1-27-21-9-5-4-8-20(21)26-23(27)12-13-31-24-18-7-3-2-6-17(18)15-30-22-11-10-16(25(28)29)14-19(22)24/h2-11,14,24H,12-13,15H2,1H3,(H,28,29)