(2-chloranyl-4-cyano-phenyl) 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: (2-chloranyl-4-cyano-phenyl) 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: (2-chloro-4-cyano-phenyl) 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid (2-chloro-4-cyanophenyl) ester IUPAC Name: (2-chloro-4-cyanophenyl) 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid (2-chloro-4-cyano-phenyl) ester Formula: C18H16ClNO2S MolecularWeight: 345.84314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO2S/c1-12-3-5-15(9-13(12)2)23-8-7-18(21)22-17-6-4-14(11-20)10-16(17)19/h3-6,9-10H,7-8H2,1-2H3