11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzothiepine-9-carboxylic acid

Systemtic Name: 11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzothiepine-9-carboxylic acid Openeye Name: 11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzothiepine-9-carboxylic acid CAS Name: 11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzothiepin-9-carboxylic acid IUPAC Name: 11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzothiepine-9-carboxylic acid Traditional Name: 11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzothiepin-9-carboxylic acid Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC=C1C2=CC=CC=C2SCC3=C1C=C(C=C3)C(=O)O

Isomeric SMILES

CN(C)CCC=C1C2=CC=CC=C2SCC3=C1C=C(C=C3)C(=O)O

InChI

InChI=1S/C20H21NO2S/c1-21(2)11-5-7-16-17-6-3-4-8-19(17)24-13-15-10-9-14(20(22)23)12-18(15)16/h3-4,6-10,12H,5,11,13H2,1-2H3,(H,22,23)