(3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-ethoxy-3-methoxy-benzoate

Systemtic Name: (3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-ethoxy-3-methoxy-benzoate Openeye Name: (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic acid (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester IUPAC Name: (3-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid (5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C18H19N2O5S+ MolecularWeight: 375.41886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3C)OC

InChI

InChI=1S/C18H18N2O5S/c1-4-24-14-6-5-12(7-15(14)23-3)17(22)25-9-13-8-16(21)20-11(2)10-26-18(20)19-13/h5-8,10H,4,9H2,1-3H3/p+1