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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-chloro-5-ethoxy-4-hydroxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-hydroxybenzoic 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-5-ethoxy-4-hydroxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-hydroxy-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:

CCOC1=C(C(=CC(=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)Cl)O

InChI

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