ethyl 4-cyano-3-methyl-5-(3-methylbutanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-(3-methylbutanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-(3-methylbutanoylamino)thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[(3-methyl-1-oxobutyl)amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-(3-methylbutanoylamino)thiophene-2-carboxylate Traditional Name: 4-cyano-5-(isovalerylamino)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S/c1-5-19-14(18)12-9(4)10(7-15)13(20-12)16-11(17)6-8(2)3/h8H,5-6H2,1-4H3,(H,16,17)