2-cyclopropylcarbonyl-3-(4-methoxy-3-methylsulfonyl-phenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-cyclopropylcarbonyl-3-(4-methoxy-3-methylsulfonyl-phenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(cyclopropanecarbonyl)-3-(4-methoxy-3-methylsulfonyl-phenyl)-3-oxo-propanenitrile CAS Name: 2-[cyclopropyl(oxo)methyl]-3-(4-methoxy-3-methylsulfonylphenyl)-3-oxopropanenitrile IUPAC Name: 2-(cyclopropanecarbonyl)-3-(4-methoxy-3-methylsulfonylphenyl)-3-oxopropanenitrile Traditional Name: 2-(cyclopropanecarbonyl)-3-keto-3-(3-mesyl-4-methoxy-phenyl)propionitrile Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C(C#N)C(=O)C2CC2)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C(C#N)C(=O)C2CC2)S(=O)(=O)C

InChI

InChI=1S/C15H15NO5S/c1-21-12-6-5-10(7-13(12)22(2,19)20)15(18)11(8-16)14(17)9-3-4-9/h5-7,9,11H,3-4H2,1-2H3