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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)azaniumyl]methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[(diisobutylammonio)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)ammonio]methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)azaniumyl]methyl]-4-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[(diisobutylammonio)methyl]-4-keto-chromen-7-olate Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3S/c1-15(2)11-27(12-16(3)4)13-18-21(28)10-9-17-23(29)19(14-30-24(17)18)25-26-20-7-5-6-8-22(20)31-25/h5-10,14-16,28H,11-13H2,1-4H3