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

Systemtic Name: (4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 4-oxidanylbenzoate Openeye Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic 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 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid (4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester Formula: C18H13N2O4S+ MolecularWeight: 353.37182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+]3=C(S2)NC(=CC3=O)COC(=O)C4=CC=C(C=C4)O

Isomeric SMILES

C1=CC=C2C(=C1)[N+]3=C(S2)NC(=CC3=O)COC(=O)C4=CC=C(C=C4)O

InChI

InChI=1S/C18H12N2O4S/c21-13-7-5-11(6-8-13)17(23)24-10-12-9-16(22)20-14-3-1-2-4-15(14)25-18(20)19-12/h1-9H,10H2,(H,21,23)/p+1