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

Systemtic Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C19H15N3O4S/c1-12-15(22-18(26-12)16-3-2-10-27-16)11-25-19(24)13-4-6-14(7-5-13)21-17(23)8-9-20/h2-7,10H,8,11H2,1H3,(H,21,23)