[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)CCC2=CC=CC=C2

InChI

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