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

Systemtic Name: 2-azanyl-3-[2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]thio]propionic acid Formula: C12H15N3O3S2 MolecularWeight: 313.3958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O3S2/c1-6-7(2)20-11(8(6)3-13)15-10(16)5-19-4-9(14)12(17)18/h9H,4-5,14H2,1-2H3,(H,15,16)(H,17,18)