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

Systemtic Name: 3-[(4-ethoxyphenyl)methyl]-8-methoxy-4-oxidanyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Openeye Name: 3-[(4-ethoxyphenyl)methyl]-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one CAS Name: 3-[(4-ethoxyphenyl)methyl]-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one IUPAC Name: 3-[(4-ethoxyphenyl)methyl]-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Traditional Name: 3-(4-ethoxybenzyl)-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Formula: C20H19N2O4S+ MolecularWeight: 383.44086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=C([N+]3=C(NC2=O)SC4=C3C=CC(=C4)OC)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=C([N+]3=C(NC2=O)SC4=C3C=CC(=C4)OC)O

InChI

InChI=1S/C20H18N2O4S/c1-3-26-13-6-4-12(5-7-13)10-15-18(23)21-20-22(19(15)24)16-9-8-14(25-2)11-17(16)27-20/h4-9,11H,3,10H2,1-2H3,(H,23,24)/p+1