dimethyl (Z)-4-aminocarbonyl-2-cyano-3-methylsulfanyl-pent-2-enedioate

Systemtic Name: dimethyl (Z)-4-aminocarbonyl-2-cyano-3-methylsulfanyl-pent-2-enedioate Openeye Name: dimethyl (Z)-4-carbamoyl-2-cyano-3-methylsulfanyl-pent-2-enedioate CAS Name: (Z)-4-carbamoyl-2-cyano-3-(methylthio)-2-pentenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-4-carbamoyl-2-cyano-3-methylsulfanylpent-2-enedioate Traditional Name: (Z)-4-carbamoyl-2-cyano-3-(methylthio)pent-2-enedioic acid dimethyl ester Formula: C10H12N2O5S MolecularWeight: 272.27768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=C(C#N)C(=O)OC)SC)C(=O)N

Isomeric SMILES

COC(=O)C(/C(=C(\C#N)/C(=O)OC)/SC)C(=O)N

InChI

InChI=1S/C10H12N2O5S/c1-16-9(14)5(4-11)7(18-3)6(8(12)13)10(15)17-2/h6H,1-3H3,(H2,12,13)/b7-5-