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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NO2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NO2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C18H13N3O4S/c19-8-7-17(22)20-13-5-3-12(4-6-13)18(23)24-11-14-10-15(25-21-14)16-2-1-9-26-16/h1-6,9-10H,7,11H2,(H,20,22)