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

Systemtic Name: methyl 4-cyano-3-methyl-5-(3-methylbutanoylamino)thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-(3-methylbutanoylamino)thiophene-2-carboxylate Traditional Name: 4-cyano-5-(isovalerylamino)-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CC(C)C)C(=O)OC

InChI

InChI=1S/C13H16N2O3S/c1-7(2)5-10(16)15-12-9(6-14)8(3)11(19-12)13(17)18-4/h7H,5H2,1-4H3,(H,15,16)