(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3,4-dimethylbenzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3,4-dimethylbenzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)C

InChI

InChI=1S/C16H14N2O3S/c1-9-3-4-11(7-10(9)2)16(20)21-8-13-17-12-5-6-22-14(12)15(19)18-13/h3-7H,8H2,1-2H3,(H,17,18,19)