3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)azaniumyl]methyl]-6-ethyl-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)azaniumyl]methyl]-6-ethyl-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[(diisobutylammonio)methyl]-6-ethyl-4-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)ammonio]methyl]-6-ethyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)azaniumyl]methyl]-6-ethyl-4-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[(diisobutylammonio)methyl]-6-ethyl-4-keto-chromen-7-olate Formula: C27H32N2O3S MolecularWeight: 464.61958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)C[NH+](CC(C)C)CC(C)C)[O-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)C[NH+](CC(C)C)CC(C)C)[O-]

InChI

InChI=1S/C27H32N2O3S/c1-6-18-11-19-25(31)21(27-28-22-9-7-8-10-23(22)33-27)15-32-26(19)20(24(18)30)14-29(12-16(2)3)13-17(4)5/h7-11,15-17,30H,6,12-14H2,1-5H3