[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C23H25N3O6S/c1-5-30-23(29)26-16-6-7-18-15(10-21(28)32-19(18)11-16)12-31-20(27)9-8-17-13(2)24-22(33-4)25-14(17)3/h6-7,10-11H,5,8-9,12H2,1-4H3,(H,26,29)