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

Systemtic Name: 2-cyclopropylcarbonyl-3-(2-methoxy-4-methylsulfanyl-phenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(cyclopropanecarbonyl)-3-(2-methoxy-4-methylsulfanyl-phenyl)-3-oxo-propanenitrile CAS Name: 2-[cyclopropyl(oxo)methyl]-3-[2-methoxy-4-(methylthio)phenyl]-3-oxopropanenitrile IUPAC Name: 2-(cyclopropanecarbonyl)-3-(2-methoxy-4-methylsulfanylphenyl)-3-oxopropanenitrile Traditional Name: 2-(cyclopropanecarbonyl)-3-keto-3-[2-methoxy-4-(methylthio)phenyl]propionitrile Formula: C15H15NO3S MolecularWeight: 289.3495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)C(C#N)C(=O)C2CC2

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)C(C#N)C(=O)C2CC2

InChI

InChI=1S/C15H15NO3S/c1-19-13-7-10(20-2)5-6-11(13)15(18)12(8-16)14(17)9-3-4-9/h5-7,9,12H,3-4H2,1-2H3