ethyl N-[4-[(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]carbamate

Systemtic Name: ethyl N-[4-[(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]carbamate Openeye Name: ethyl N-[4-[(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanylmethyl]-2-oxo-chromen-7-yl]carbamate CAS Name: N-[4-[[(5-cyano-2-cyclopropyl-6-methyl-4-pyrimidinyl)thio]methyl]-2-oxo-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[(5-cyano-2-cyclopropyl-6-methylpyrimidin-4-yl)sulfanylmethyl]-2-oxochromen-7-yl]carbamate Traditional Name: N-[4-[[(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)thio]methyl]-2-keto-chromen-7-yl]carbamic acid ethyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=NC(=C3C#N)C)C4CC4

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=NC(=C3C#N)C)C4CC4

InChI

InChI=1S/C22H20N4O4S/c1-3-29-22(28)25-15-6-7-16-14(8-19(27)30-18(16)9-15)11-31-21-17(10-23)12(2)24-20(26-21)13-4-5-13/h6-9,13H,3-5,11H2,1-2H3,(H,25,28)