heptyl 4-(4-cyanophenyl)sulfanylcarbonylbenzoate

Systemtic Name: heptyl 4-(4-cyanophenyl)sulfanylcarbonylbenzoate Openeye Name: heptyl 4-(4-cyanophenyl)sulfanylcarbonylbenzoate CAS Name: 4-[[(4-cyanophenyl)thio]-oxomethyl]benzoic acid heptyl ester IUPAC Name: heptyl 4-(4-cyanophenyl)sulfanylcarbonylbenzoate Traditional Name: 4-[(4-cyanophenyl)thio]carbonylbenzoic acid heptyl ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H23NO3S/c1-2-3-4-5-6-15-26-21(24)18-9-11-19(12-10-18)22(25)27-20-13-7-17(16-23)8-14-20/h7-14H,2-6,15H2,1H3