8-methoxy-4-oxidanyl-3-prop-2-enyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one

Systemtic Name: 8-methoxy-4-oxidanyl-3-prop-2-enyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Openeye Name: 3-allyl-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one CAS Name: 4-hydroxy-8-methoxy-3-prop-2-enyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one IUPAC Name: 4-hydroxy-8-methoxy-3-prop-2-enyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Traditional Name: 3-allyl-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Formula: C14H13N2O3S+ MolecularWeight: 289.32962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+]3=C(S2)NC(=O)C(=C3O)CC=C

Isomeric SMILES

COC1=CC2=C(C=C1)[N+]3=C(S2)NC(=O)C(=C3O)CC=C

InChI

InChI=1S/C14H12N2O3S/c1-3-4-9-12(17)15-14-16(13(9)18)10-6-5-8(19-2)7-11(10)20-14/h3,5-7H,1,4H2,2H3,(H,17,18)/p+1