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

Systemtic Name: (3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-pentoxybenzoate Openeye Name: (3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid (3-methyl-5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid (5-keto-3-methyl-thiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC2=CC(=O)N3C(=CSC3=N2)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC2=CC(=O)N3C(=CSC3=N2)C

InChI

InChI=1S/C20H22N2O4S/c1-3-4-5-10-25-17-8-6-15(7-9-17)19(24)26-12-16-11-18(23)22-14(2)13-27-20(22)21-16/h6-9,11,13H,3-5,10,12H2,1-2H3