ethyl 4-cyano-3-methyl-5-(1,2-oxazol-5-ylcarbonylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-(1,2-oxazol-5-ylcarbonylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-(isoxazole-5-carbonylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[5-isoxazolyl(oxo)methyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-(1,2-oxazole-5-carbonylamino)thiophene-2-carboxylate Traditional Name: 4-cyano-5-(isoxazole-5-carbonylamino)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=NO2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=NO2)C#N)C

InChI

InChI=1S/C13H11N3O4S/c1-3-19-13(18)10-7(2)8(6-14)12(21-10)16-11(17)9-4-5-15-20-9/h4-5H,3H2,1-2H3,(H,16,17)