[3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-6-ethyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-diethyl-azanium

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-6-ethyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-6-ethyl-7-hydroxy-4-oxo-chromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-6-ethyl-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-6-ethyl-7-hydroxy-4-oxochromen-8-yl]methyl-diethylazanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-2-carbethoxy-6-ethyl-7-hydroxy-4-keto-chromen-8-yl]methyl-diethyl-ammonium Formula: C26H29N2O5S+ MolecularWeight: 481.58386

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)C[NH+](CC)CC)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)C[NH+](CC)CC)O

InChI

InChI=1S/C26H28N2O5S/c1-5-15-13-16-22(30)20(25-27-18-11-9-10-12-19(18)34-25)24(26(31)32-8-4)33-23(16)17(21(15)29)14-28(6-2)7-3/h9-13,29H,5-8,14H2,1-4H3/p+1