(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylphenyl)carbonylamino]benzoate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylphenyl)carbonylamino]benzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(3-methylbenzoyl)amino]benzoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate Traditional Name: 2-(m-toluoylamino)benzoic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C22H17N3O4S/c1-14-6-4-7-15(12-14)21(26)23-17-9-3-2-8-16(17)22(27)28-13-19-24-20(25-29-19)18-10-5-11-30-18/h2-12H,13H2,1H3,(H,23,26)