(4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 3-oxidanylnaphthalene-2-carboxylate

Systemtic Name: (4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 3-oxidanylnaphthalene-2-carboxylate Openeye Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate Traditional Name: 3-hydroxynaphthalene-2-carboxylic acid (4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester Formula: C22H15N2O4S+ MolecularWeight: 403.4305

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC5=CC=CC=C54)O

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC5=CC=CC=C54)O

InChI

InChI=1S/C22H14N2O4S/c25-18-10-14-6-2-1-5-13(14)9-16(18)21(27)28-12-15-11-20(26)24-17-7-3-4-8-19(17)29-22(24)23-15/h1-11H,12H2,(H,25,27)/p+1