4-[(3-cyanothiophen-2-yl)amino]-2-methyl-4-oxidanylidene-2-propan-2-yl-butanoic acid

Systemtic Name: 4-[(3-cyanothiophen-2-yl)amino]-2-methyl-4-oxidanylidene-2-propan-2-yl-butanoic acid Openeye Name: 4-[(3-cyano-2-thienyl)amino]-2-isopropyl-2-methyl-4-oxo-butanoic acid CAS Name: 4-[(3-cyano-2-thiophenyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid IUPAC Name: 4-[(3-cyanothiophen-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid Traditional Name: 4-[(3-cyano-2-thienyl)amino]-2-isopropyl-4-keto-2-methyl-butyric acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(CC(=O)NC1=C(C=CS1)C#N)C(=O)O

Isomeric SMILES

CC(C)C(C)(CC(=O)NC1=C(C=CS1)C#N)C(=O)O

InChI

InChI=1S/C13H16N2O3S/c1-8(2)13(3,12(17)18)6-10(16)15-11-9(7-14)4-5-19-11/h4-5,8H,6H2,1-3H3,(H,15,16)(H,17,18)