ethyl 2-cyano-2-[2-methoxy-3-(2-methylphenyl)sulfanyl-phenyl]octanoate

Systemtic Name: ethyl 2-cyano-2-[2-methoxy-3-(2-methylphenyl)sulfanyl-phenyl]octanoate Openeye Name: ethyl 2-cyano-2-[2-methoxy-3-(o-tolylsulfanyl)phenyl]octanoate CAS Name: 2-cyano-2-[2-methoxy-3-[(2-methylphenyl)thio]phenyl]octanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[2-methoxy-3-(2-methylphenyl)sulfanylphenyl]octanoate Traditional Name: 2-cyano-2-[2-methoxy-3-(o-tolylthio)phenyl]caprylic acid ethyl ester Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C#N)(C1=C(C(=CC=C1)SC2=CC=CC=C2C)OC)C(=O)OCC

Isomeric SMILES

CCCCCCC(C#N)(C1=C(C(=CC=C1)SC2=CC=CC=C2C)OC)C(=O)OCC

InChI

InChI=1S/C25H31NO3S/c1-5-7-8-11-17-25(18-26,24(27)29-6-2)20-14-12-16-22(23(20)28-4)30-21-15-10-9-13-19(21)3/h9-10,12-16H,5-8,11,17H2,1-4H3