(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic 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-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C16H13ClN2O5S MolecularWeight: 380.80282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)Cl)OC

InChI

InChI=1S/C16H13ClN2O5S/c1-22-11-6-8(5-9(17)13(11)23-2)16(21)24-7-12-18-10-3-4-25-14(10)15(20)19-12/h3-6H,7H2,1-2H3,(H,18,19,20)