4-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-methyl-4-oxidanylidene-2-propan-2-yl-butanoic acid

Systemtic Name: 4-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-methyl-4-oxidanylidene-2-propan-2-yl-butanoic acid Openeye Name: 4-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-isopropyl-2-methyl-4-oxo-butanoic acid CAS Name: 4-[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid IUPAC Name: 4-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid Traditional Name: 4-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-isopropyl-4-keto-2-methyl-butyric acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CC(C)(C(C)C)C(=O)O)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CC(C)(C(C)C)C(=O)O)C

InChI

InChI=1S/C15H20N2O3S/c1-8(2)15(5,14(19)20)6-12(18)17-13-11(7-16)9(3)10(4)21-13/h8H,6H2,1-5H3,(H,17,18)(H,19,20)