3-(2-methylpropanoylamino)-4-oxidanylidene-4-thiophen-2-yl-butanoic acid

Systemtic Name: 3-(2-methylpropanoylamino)-4-oxidanylidene-4-thiophen-2-yl-butanoic acid Openeye Name: 3-(2-methylpropanoylamino)-4-oxo-4-(2-thienyl)butanoic acid CAS Name: 3-[(2-methyl-1-oxopropyl)amino]-4-oxo-4-thiophen-2-ylbutanoic acid IUPAC Name: 3-(2-methylpropanoylamino)-4-oxo-4-thiophen-2-ylbutanoic acid Traditional Name: 3-(isobutyrylamino)-4-keto-4-(2-thienyl)butyric acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(CC(=O)O)C(=O)C1=CC=CS1

Isomeric SMILES

CC(C)C(=O)NC(CC(=O)O)C(=O)C1=CC=CS1

InChI

InChI=1S/C12H15NO4S/c1-7(2)12(17)13-8(6-10(14)15)11(16)9-4-3-5-18-9/h3-5,7-8H,6H2,1-2H3,(H,13,17)(H,14,15)