(4-cyanophenyl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (4-cyanophenyl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (4-cyanophenyl)methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (4-cyanobenzyl) ester Formula: C19H18N2O3S MolecularWeight: 354.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H18N2O3S/c1-21(2)18(22)13-25-17-6-4-3-5-16(17)19(23)24-12-15-9-7-14(11-20)8-10-15/h3-10H,12-13H2,1-2H3