3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-carbethoxy-4-keto-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C25H24N2O5S MolecularWeight: 464.53346

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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+]3CCCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H24N2O5S/c1-2-31-25(30)23-20(24-26-17-8-4-5-9-19(17)33-24)21(29)15-10-11-18(28)16(22(15)32-23)14-27-12-6-3-7-13-27/h4-5,8-11,28H,2-3,6-7,12-14H2,1H3