8-(3-methoxypropyl)-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate

Systemtic Name: 8-(3-methoxypropyl)-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate Openeye Name: 8-(3-methoxypropyl)-5-oxo-6-phenyl-thiazolo[3,2-a]pyrimidin-8-ium-7-olate CAS Name: 8-(3-methoxypropyl)-5-oxo-6-phenyl-7-thiazolo[3,2-a]pyrimidin-8-iumolate IUPAC Name: 8-(3-methoxypropyl)-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate Traditional Name: 5-keto-8-(3-methoxypropyl)-6-phenyl-thiazolo[3,2-a]pyrimidin-8-ium-7-olate Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[N+]1=C2N(C=CS2)C(=O)C(=C1[O-])C3=CC=CC=C3

Isomeric SMILES

COCCC[N+]1=C2N(C=CS2)C(=O)C(=C1[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H16N2O3S/c1-21-10-5-8-17-14(19)13(12-6-3-2-4-7-12)15(20)18-9-11-22-16(17)18/h2-4,6-7,9,11H,5,8,10H2,1H3