3-[(2,5-dimethylphenyl)methyl]-8-methoxy-4-oxidanyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one

Systemtic Name: 3-[(2,5-dimethylphenyl)methyl]-8-methoxy-4-oxidanyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Openeye Name: 3-[(2,5-dimethylphenyl)methyl]-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one CAS Name: 3-[(2,5-dimethylphenyl)methyl]-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one IUPAC Name: 3-[(2,5-dimethylphenyl)methyl]-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Traditional Name: 3-(2,5-dimethylbenzyl)-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Formula: C20H19N2O3S+ MolecularWeight: 367.44146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=C([N+]3=C(NC2=O)SC4=C3C=CC(=C4)OC)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=C([N+]3=C(NC2=O)SC4=C3C=CC(=C4)OC)O

InChI

InChI=1S/C20H18N2O3S/c1-11-4-5-12(2)13(8-11)9-15-18(23)21-20-22(19(15)24)16-7-6-14(25-3)10-17(16)26-20/h4-8,10H,9H2,1-3H3,(H,23,24)/p+1