ethyl (E)-5-phenyl-4-thiocyanato-pent-2-enoate

Systemtic Name: ethyl (E)-5-phenyl-4-thiocyanato-pent-2-enoate Openeye Name: ethyl (E)-5-phenyl-4-thiocyanato-pent-2-enoate CAS Name: (E)-5-phenyl-4-thiocyanato-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-5-phenyl-4-thiocyanatopent-2-enoate Traditional Name: (E)-5-phenyl-4-thiocyanato-pent-2-enoic acid ethyl ester Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC1=CC=CC=C1)SC#N

Isomeric SMILES

CCOC(=O)/C=C/C(CC1=CC=CC=C1)SC#N

InChI

InChI=1S/C14H15NO2S/c1-2-17-14(16)9-8-13(18-11-15)10-12-6-4-3-5-7-12/h3-9,13H,2,10H2,1H3/b9-8+