ethyl 4-cyano-3-methyl-5-[(3-methyl-1,2-oxazol-5-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(3-methyl-1,2-oxazol-5-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(3-methylisoxazole-5-carbonyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[(3-methyl-5-isoxazolyl)-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(3-methyl-1,2-oxazole-5-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(3-methylisoxazole-5-carbonyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4S/c1-4-20-14(19)11-8(3)9(6-15)13(22-11)16-12(18)10-5-7(2)17-21-10/h5H,4H2,1-3H3,(H,16,18)