2-[(5-acetamidothiophen-2-yl)carbonylamino]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[(5-acetamidothiophen-2-yl)carbonylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[(5-acetamidothiophene-2-carbonyl)amino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[(5-acetamido-2-thiophenyl)-oxomethyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[(5-acetamidothiophene-2-carbonyl)amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[(5-acetamidothiophene-2-carbonyl)amino]-3,3-dimethyl-butyric acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(S1)C(=O)NC(C(=O)O)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(S1)C(=O)NC(C(=O)O)C(C)(C)C

InChI

InChI=1S/C13H18N2O4S/c1-7(16)14-9-6-5-8(20-9)11(17)15-10(12(18)19)13(2,3)4/h5-6,10H,1-4H3,(H,14,16)(H,15,17)(H,18,19)