5-(3,3-dimethylbutanoylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: 5-(3,3-dimethylbutanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: 5-(3,3-dimethylbutanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[(3,3-dimethyl-1-oxobutyl)amino]-3-methyl-2-thiophenecarboxylate IUPAC Name: 5-(3,3-dimethylbutanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 5-(3,3-dimethylbutanoylamino)-3-methyl-2-thenoate Formula: C12H16NO3S- MolecularWeight: 254.32534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3S/c1-7-5-9(17-10(7)11(15)16)13-8(14)6-12(2,3)4/h5H,6H2,1-4H3,(H,13,14)(H,15,16)/p-1