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

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-butoxy-3-ethoxy-benzoate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid (5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid (5-ketothiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=CSC3=N2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=CSC3=N2)OCC

InChI

InChI=1S/C20H22N2O5S/c1-3-5-9-26-16-7-6-14(11-17(16)25-4-2)19(24)27-13-15-12-18(23)22-8-10-28-20(22)21-15/h6-8,10-12H,3-5,9,13H2,1-2H3