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

Systemtic Name: 2-[[2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]amino]-3-methyl-butyric acid Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S/c1-7(2)12(14(19)20)16-6-11(18)17-13-10(5-15)8(3)9(4)21-13/h7,12,16H,6H2,1-4H3,(H,17,18)(H,19,20)