ethyl (2E,4Z)-2-cyano-4-methyl-5-thiocyanato-hepta-2,4-dienoate

Systemtic Name: ethyl (2E,4Z)-2-cyano-4-methyl-5-thiocyanato-hepta-2,4-dienoate Openeye Name: ethyl (2E,4Z)-2-cyano-4-methyl-5-thiocyanato-hepta-2,4-dienoate CAS Name: (2E,4Z)-2-cyano-4-methyl-5-thiocyanatohepta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl (2E,4Z)-2-cyano-4-methyl-5-thiocyanatohepta-2,4-dienoate Traditional Name: (2E,4Z)-2-cyano-4-methyl-5-thiocyanato-hepta-2,4-dienoic acid ethyl ester Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC/C(=C(\C)/C=C(\C#N)/C(=O)OCC)/SC#N

InChI

InChI=1S/C12H14N2O2S/c1-4-11(17-8-14)9(3)6-10(7-13)12(15)16-5-2/h6H,4-5H2,1-3H3/b10-6+,11-9-