[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H14BrN3O4S MolecularWeight: 448.29046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br)SCC(=O)N

InChI

InChI=1S/C18H14BrN3O4S/c19-12-5-3-4-11(8-12)17-21-16(26-22-17)9-25-18(24)13-6-1-2-7-14(13)27-10-15(20)23/h1-8H,9-10H2,(H2,20,23)