(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C17H13ClN2O5S MolecularWeight: 392.81352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C17H13ClN2O5S/c1-23-10-3-4-11-9(5-14(21)25-13(11)6-10)8-24-16(22)15-12(18)7-19-17(20-15)26-2/h3-7H,8H2,1-2H3