(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C17H12N4O4S MolecularWeight: 368.36658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=NOC(=N2)C3=CSC=C3)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=NOC(=N2)C3=CSC=C3)NC(=O)CC#N

InChI

InChI=1S/C17H12N4O4S/c18-7-5-15(22)19-13-3-1-11(2-4-13)17(23)24-9-14-20-16(25-21-14)12-6-8-26-10-12/h1-4,6,8,10H,5,9H2,(H,19,22)