(2-cyanophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: (2-cyanophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: (2-cyanophenyl)methyl 2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)methylthio]benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]benzoic acid (2-cyanobenzyl) ester Formula: C20H16N2O2S2 MolecularWeight: 380.48324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H16N2O2S2/c1-14-22-17(12-25-14)13-26-19-9-5-4-8-18(19)20(23)24-11-16-7-3-2-6-15(16)10-21/h2-9,12H,11,13H2,1H3