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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)azaniumyl]methyl]-2-ethoxycarbonyl-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[(diisobutylammonio)methyl]-2-ethoxycarbonyl-4-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)ammonio]methyl]-2-ethoxycarbonyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)azaniumyl]methyl]-2-ethoxycarbonyl-4-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-carbethoxy-8-[(diisobutylammonio)methyl]-4-keto-chromen-7-olate Formula: C28H32N2O5S MolecularWeight: 508.62908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+](CC(C)C)CC(C)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+](CC(C)C)CC(C)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C28H32N2O5S/c1-6-34-28(33)26-23(27-29-20-9-7-8-10-22(20)36-27)24(32)18-11-12-21(31)19(25(18)35-26)15-30(13-16(2)3)14-17(4)5/h7-12,16-17,31H,6,13-15H2,1-5H3