2-[(3E)-1-(dimethylamino)-3-[2-(methylsulfanylmethyl)thioxanthen-9-ylidene]propoxy]-2-oxidanylidene-ethanoate

Systemtic Name: 2-[(3E)-1-(dimethylamino)-3-[2-(methylsulfanylmethyl)thioxanthen-9-ylidene]propoxy]-2-oxidanylidene-ethanoate Openeye Name: 2-[(3E)-1-(dimethylamino)-3-[2-(methylsulfanylmethyl)thioxanthen-9-ylidene]propoxy]-2-oxo-acetate CAS Name: 2-[(3E)-1-(dimethylamino)-3-[2-[(methylthio)methyl]-9-thioxanthenylidene]propoxy]-2-oxoacetate IUPAC Name: 2-[(3E)-1-(dimethylamino)-3-[2-(methylsulfanylmethyl)thioxanthen-9-ylidene]propoxy]-2-oxoacetate Traditional Name: 2-[(3E)-1-(dimethylamino)-3-[2-[(methylthio)methyl]thioxanthen-9-ylidene]propoxy]-2-keto-acetate Formula: C22H22NO4S2- MolecularWeight: 428.54438

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)CSC)OC(=O)C(=O)[O-]

Isomeric SMILES

CN(C)C(C/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)CSC)OC(=O)C(=O)[O-]

InChI

InChI=1S/C22H23NO4S2/c1-23(2)20(27-22(26)21(24)25)11-9-15-16-6-4-5-7-18(16)29-19-10-8-14(13-28-3)12-17(15)19/h4-10,12,20H,11,13H2,1-3H3,(H,24,25)/p-1/b15-9+