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

Systemtic Name: 3-[[2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]amino]propanoic acid Openeye Name: 3-[[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]amino]propanoic acid CAS Name: 3-[[2-[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid Traditional Name: 3-[[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]amino]propionic acid Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O3S/c1-7-8(2)19-12(9(7)5-13)15-10(16)6-14-4-3-11(17)18/h14H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)