[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-chloranyl-2-methoxy-phenyl)ethanoate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-chloranyl-2-methoxy-phenyl)ethanoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(5-chloro-2-methoxy-phenyl)acetate CAS Name: 2-(5-chloro-2-methoxyphenyl)acetic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate Traditional Name: 2-(5-chloro-2-methoxy-phenyl)acetic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)CC2=C(C=CC(=C2)Cl)OC)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)CC2=C(C=CC(=C2)Cl)OC)C)SC#N

InChI

InChI=1S/C20H19ClN2O4S/c1-12-6-16(28-11-22)7-13(2)20(12)23-18(24)10-27-19(25)9-14-8-15(21)4-5-17(14)26-3/h4-8H,9-10H2,1-3H3,(H,23,24)