[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(4-bromoanilino)-1-methyl-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 [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 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-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H16BrN3O4S MolecularWeight: 450.30634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)CCC2=NC(=NO2)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)CCC2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C18H16BrN3O4S/c1-11(18(24)20-13-6-4-12(19)5-7-13)25-16(23)9-8-15-21-17(22-26-15)14-3-2-10-27-14/h2-7,10-11H,8-9H2,1H3,(H,20,24)