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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=CO2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1=CSC(=C1)C2=NC(=CO2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

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