methyl 4-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]benzoate

Systemtic Name: methyl 4-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]benzoate Openeye Name: methyl 4-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]benzoate CAS Name: 4-[[2-[(2-cyanophenyl)methylthio]ethylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]benzoate Traditional Name: 4-[2-[(2-cyanobenzyl)thio]ethylcarbamoyl]benzoic acid methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C19H18N2O3S/c1-24-19(23)15-8-6-14(7-9-15)18(22)21-10-11-25-13-17-5-3-2-4-16(17)12-20/h2-9H,10-11,13H2,1H3,(H,21,22)