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

Systemtic Name: (4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 2-phenylethanoate Openeye Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 2-phenylacetate CAS Name: 2-phenylacetic 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 2-phenylacetate Traditional Name: 2-phenylacetic acid (4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester Formula: C19H15N2O3S+ MolecularWeight: 351.399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)OCC2=CC(=O)[N+]3=C(N2)SC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)OCC2=CC(=O)[N+]3=C(N2)SC4=CC=CC=C43

InChI

InChI=1S/C19H14N2O3S/c22-17-11-14(12-24-18(23)10-13-6-2-1-3-7-13)20-19-21(17)15-8-4-5-9-16(15)25-19/h1-9,11H,10,12H2/p+1