[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propionic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CCC2=NC(=NO2)C3=CSC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CCC2=NC(=NO2)C3=CSC=C3)C

InChI

InChI=1S/C20H21N3O4S/c1-3-14-6-4-5-13(2)19(14)21-16(24)11-26-18(25)8-7-17-22-20(23-27-17)15-9-10-28-12-15/h4-6,9-10,12H,3,7-8,11H2,1-2H3,(H,21,24)