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

Systemtic Name: 3-methyl-5-(3-methylbutanoylamino)thiophene-2-carboxylate Openeye Name: 3-methyl-5-(3-methylbutanoylamino)thiophene-2-carboxylate CAS Name: 3-methyl-5-[(3-methyl-1-oxobutyl)amino]-2-thiophenecarboxylate IUPAC Name: 3-methyl-5-(3-methylbutanoylamino)thiophene-2-carboxylate Traditional Name: 5-(isovalerylamino)-3-methyl-2-thenoate Formula: C11H14NO3S- MolecularWeight: 240.29876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)CC(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)CC(C)C)C(=O)[O-]

InChI

InChI=1S/C11H15NO3S/c1-6(2)4-8(13)12-9-5-7(3)10(16-9)11(14)15/h5-6H,4H2,1-3H3,(H,12,13)(H,14,15)/p-1