[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propionic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)CCC2=NC(=NO2)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)CCC2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C19H19N3O4S/c1-13-5-2-3-6-14(13)11-20-16(23)12-25-18(24)9-8-17-21-19(22-26-17)15-7-4-10-27-15/h2-7,10H,8-9,11-12H2,1H3,(H,20,23)