3-(1,3-benzothiazol-2-yl)-8-[(dimethylazaniumyl)methyl]-2-methyl-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[(dimethylazaniumyl)methyl]-2-methyl-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[(dimethylammonio)methyl]-2-methyl-4-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[(dimethylammonio)methyl]-2-methyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[(dimethylazaniumyl)methyl]-2-methyl-4-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[(dimethylammonio)methyl]-4-keto-2-methyl-chromen-7-olate Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+](C)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+](C)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N2O3S/c1-11-17(20-21-14-6-4-5-7-16(14)26-20)18(24)12-8-9-15(23)13(10-22(2)3)19(12)25-11/h4-9,23H,10H2,1-3H3