[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-keto-ethyl] ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C20H22ClNO5S/c1-12(15-9-13(25-2)5-8-18(15)26-3)22-19(23)11-27-20(24)16-10-14(28-4)6-7-17(16)21/h5-10,12H,11H2,1-4H3,(H,22,23)