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

Systemtic Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C19H17N3O4S MolecularWeight: 383.42098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3=CC=CC=C3SCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C19H17N3O4S/c1-12-6-8-13(9-7-12)18-21-17(22-26-18)10-25-19(24)14-4-2-3-5-15(14)27-11-16(20)23/h2-9H,10-11H2,1H3,(H2,20,23)