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

Systemtic Name: 4-[[2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 4-[[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[2-[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]amino]butanoic acid Traditional Name: 4-[[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]amino]butyric acid Formula: C13H17N3O3S MolecularWeight: 295.35738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3S/c1-8-9(2)20-13(10(8)6-14)16-11(17)7-15-5-3-4-12(18)19/h15H,3-5,7H2,1-2H3,(H,16,17)(H,18,19)