(3-cyanophenyl) 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: (3-cyanophenyl) 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: (3-cyanophenyl) 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid (3-cyanophenyl) ester Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C18H17NO2S/c1-13-6-7-17(10-14(13)2)22-9-8-18(20)21-16-5-3-4-15(11-16)12-19/h3-7,10-11H,8-9H2,1-2H3