methyl 2-[3-(3-cyanophenyl)-3-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-propyl]benzoate

Systemtic Name: methyl 2-[3-(3-cyanophenyl)-3-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-propyl]benzoate Openeye Name: methyl 2-[3-(3-cyanophenyl)-3-(3-methoxy-3-oxo-propyl)sulfanyl-propyl]benzoate CAS Name: 2-[3-(3-cyanophenyl)-3-[(3-methoxy-3-oxopropyl)thio]propyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(3-cyanophenyl)-3-(3-methoxy-3-oxopropyl)sulfanylpropyl]benzoate Traditional Name: 2-[3-(3-cyanophenyl)-3-[(3-keto-3-methoxy-propyl)thio]propyl]benzoic acid methyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(CCC1=CC=CC=C1C(=O)OC)C2=CC=CC(=C2)C#N

Isomeric SMILES

COC(=O)CCSC(CCC1=CC=CC=C1C(=O)OC)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C22H23NO4S/c1-26-21(24)12-13-28-20(18-8-5-6-16(14-18)15-23)11-10-17-7-3-4-9-19(17)22(25)27-2/h3-9,14,20H,10-13H2,1-2H3