(6E)-6-(11-methylsulfanylpyrido[4,3-c][1]benzazepin-5-ylidene)hexanoic acid

Systemtic Name: (6E)-6-(11-methylsulfanylpyrido[4,3-c][1]benzazepin-5-ylidene)hexanoic acid Openeye Name: (6E)-6-(11-methylsulfanylpyrido[4,3-c][1]benzazepin-5-ylidene)hexanoic acid CAS Name: (6E)-6-[11-(methylthio)-5-pyrido[4,3-c][1]benzazepinylidene]hexanoic acid IUPAC Name: (6E)-6-(11-methylsulfanylpyrido[4,3-c][1]benzazepin-5-ylidene)hexanoic acid Traditional Name: (6E)-6-[11-(methylthio)pyrido[4,3-c][1]benzazepin-5-ylidene]hexanoic acid Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C=CC=CC2=NC(=CCCCCC(=O)O)C3=C1C=NC=C3

Isomeric SMILES

CSC1=C2C=CC=CC2=N/C(=C/CCCCC(=O)O)/C3=C1C=NC=C3

InChI

InChI=1S/C20H20N2O2S/c1-25-20-15-7-5-6-9-18(15)22-17(8-3-2-4-10-19(23)24)14-11-12-21-13-16(14)20/h5-9,11-13H,2-4,10H2,1H3,(H,23,24)/b17-8+