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

Systemtic Name: (4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 3-oxidanylbenzoate Openeye Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 3-hydroxybenzoate CAS Name: 3-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 3-hydroxybenzoate Traditional Name: 3-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(=CC=C4)O

Isomeric SMILES

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

InChI

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