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

Systemtic Name: 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]amino]-3-methyl-butyric acid Formula: C12H15N3O3S MolecularWeight: 281.3308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O3S/c1-7(2)10(12(17)18)14-6-9(16)15-11-8(5-13)3-4-19-11/h3-4,7,10,14H,6H2,1-2H3,(H,15,16)(H,17,18)