[4-(4-cyanophenyl)sulfanylcarbonylphenyl] heptanoate

Systemtic Name: [4-(4-cyanophenyl)sulfanylcarbonylphenyl] heptanoate Openeye Name: [4-(4-cyanophenyl)sulfanylcarbonylphenyl] heptanoate CAS Name: heptanoic acid [4-[[(4-cyanophenyl)thio]-oxomethyl]phenyl] ester IUPAC Name: [4-(4-cyanophenyl)sulfanylcarbonylphenyl] heptanoate Traditional Name: enanthic acid [4-[(4-cyanophenyl)thio]carbonylphenyl] ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCC(=O)OC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H21NO3S/c1-2-3-4-5-6-20(23)25-18-11-9-17(10-12-18)21(24)26-19-13-7-16(15-22)8-14-19/h7-14H,2-6H2,1H3