ethyl 4-[2-(4-cyanophenyl)sulfanylcarbonylphenyl]butanoate

Systemtic Name: ethyl 4-[2-(4-cyanophenyl)sulfanylcarbonylphenyl]butanoate Openeye Name: ethyl 4-[2-(4-cyanophenyl)sulfanylcarbonylphenyl]butanoate CAS Name: 4-[2-[[(4-cyanophenyl)thio]-oxomethyl]phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-cyanophenyl)sulfanylcarbonylphenyl]butanoate Traditional Name: 4-[2-[(4-cyanophenyl)thio]carbonylphenyl]butyric acid ethyl ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=CC=CC=C1C(=O)SC2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)CCCC1=CC=CC=C1C(=O)SC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H19NO3S/c1-2-24-19(22)9-5-7-16-6-3-4-8-18(16)20(23)25-17-12-10-15(14-21)11-13-17/h3-4,6,8,10-13H,2,5,7,9H2,1H3