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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[(diethylazaniumyl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[(diethylammonio)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[(diethylammonio)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[(diethylazaniumyl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[(diethylammonio)methyl]-4-keto-chromen-7-olate Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC=C(C2=O)C3=NC4=CC=CC=C4S3)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC=C(C2=O)C3=NC4=CC=CC=C4S3)[O-]

InChI

InChI=1S/C21H20N2O3S/c1-3-23(4-2)11-14-17(24)10-9-13-19(25)15(12-26-20(13)14)21-22-16-7-5-6-8-18(16)27-21/h5-10,12,24H,3-4,11H2,1-2H3