3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-carbethoxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-chromen-7-olate Formula: C26H27N3O6S MolecularWeight: 509.57408

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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+]3CCN(CC3)CCO)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCN(CC3)CCO)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H27N3O6S/c1-2-34-26(33)24-21(25-27-18-5-3-4-6-20(18)36-25)22(32)16-7-8-19(31)17(23(16)35-24)15-29-11-9-28(10-12-29)13-14-30/h3-8,30-31H,2,9-15H2,1H3