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

Systemtic Name: 3-[2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]thio]propionic acid Formula: C12H14N2O3S2 MolecularWeight: 298.38116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O3S2/c1-7-8(2)19-12(9(7)5-13)14-10(15)6-18-4-3-11(16)17/h3-4,6H2,1-2H3,(H,14,15)(H,16,17)