diethyl 4-aminocarbonyl-2-cyano-3-methylsulfanyl-pent-2-enedioate

Systemtic Name: diethyl 4-aminocarbonyl-2-cyano-3-methylsulfanyl-pent-2-enedioate Openeye Name: diethyl 4-carbamoyl-2-cyano-3-methylsulfanyl-pent-2-enedioate CAS Name: 4-carbamoyl-2-cyano-3-(methylthio)-2-pentenedioic acid diethyl ester IUPAC Name: diethyl 4-carbamoyl-2-cyano-3-methylsulfanylpent-2-enedioate Traditional Name: 4-carbamoyl-2-cyano-3-(methylthio)pent-2-enedioic acid diethyl ester Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=C(C#N)C(=O)OCC)SC)C(=O)N

Isomeric SMILES

CCOC(=O)C(C(=C(C#N)C(=O)OCC)SC)C(=O)N

InChI

InChI=1S/C12H16N2O5S/c1-4-18-11(16)7(6-13)9(20-3)8(10(14)15)12(17)19-5-2/h8H,4-5H2,1-3H3,(H2,14,15)