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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C17H12Cl2N2O4S MolecularWeight: 411.25918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=NC(=NC=C3Cl)SC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=NC(=NC=C3Cl)SC)Cl

InChI

InChI=1S/C17H12Cl2N2O4S/c1-8-3-13-10(5-11(8)18)9(4-14(22)25-13)7-24-16(23)15-12(19)6-20-17(21-15)26-2/h3-6H,7H2,1-2H3