ethyl (2E)-2,6,6-tricyano-3-methylsulfanyl-5-phenyl-hexa-2,5-dienoate

Systemtic Name: ethyl (2E)-2,6,6-tricyano-3-methylsulfanyl-5-phenyl-hexa-2,5-dienoate Openeye Name: ethyl (2E)-2,6,6-tricyano-3-methylsulfanyl-5-phenyl-hexa-2,5-dienoate CAS Name: (2E)-2,6,6-tricyano-3-(methylthio)-5-phenylhexa-2,5-dienoic acid ethyl ester IUPAC Name: ethyl (2E)-2,6,6-tricyano-3-methylsulfanyl-5-phenylhexa-2,5-dienoate Traditional Name: (2E)-2,6,6-tricyano-3-(methylthio)-5-phenyl-hexa-2,5-dienoic acid ethyl ester Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(CC(=C(C#N)C#N)C1=CC=CC=C1)SC)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\CC(=C(C#N)C#N)C1=CC=CC=C1)/SC)/C#N

InChI

InChI=1S/C18H15N3O2S/c1-3-23-18(22)16(12-21)17(24-2)9-15(14(10-19)11-20)13-7-5-4-6-8-13/h4-8H,3,9H2,1-2H3/b17-16+