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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinecarboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(methylthio)-2-(2-thienyl)pyrimidine-5-carboxylic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C22H18N2O5S2 MolecularWeight: 454.51872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C22H18N2O5S2/c1-12-19(21(30-3)24-20(23-12)17-5-4-8-31-17)22(26)28-11-13-9-18(25)29-16-10-14(27-2)6-7-15(13)16/h4-10H,11H2,1-3H3