ethyl 4-(2-cyanophenyl)-3-methyl-2-(phenylsulfinyl)butanoate

Systemtic Name: ethyl 4-(2-cyanophenyl)-3-methyl-2-(phenylsulfinyl)butanoate Openeye Name: ethyl 2-(benzenesulfinyl)-4-(2-cyanophenyl)-3-methyl-butanoate CAS Name: 2-(benzenesulfinyl)-4-(2-cyanophenyl)-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfinyl)-4-(2-cyanophenyl)-3-methylbutanoate Traditional Name: 2-(benzenesulfinyl)-4-(2-cyanophenyl)-3-methyl-butyric acid ethyl ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)CC1=CC=CC=C1C#N)S(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(C)CC1=CC=CC=C1C#N)S(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21NO3S/c1-3-24-20(22)19(25(23)18-11-5-4-6-12-18)15(2)13-16-9-7-8-10-17(16)14-21/h4-12,15,19H,3,13H2,1-2H3