ethyl (E)-2-isocyano-6-phenylsulfanyl-hex-4-enoate

Systemtic Name: ethyl (E)-2-isocyano-6-phenylsulfanyl-hex-4-enoate Openeye Name: ethyl (E)-2-isocyano-6-phenylsulfanyl-hex-4-enoate CAS Name: (E)-2-isocyano-6-(phenylthio)-4-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-2-isocyano-6-phenylsulfanylhex-4-enoate Traditional Name: (E)-2-isocyano-6-(phenylthio)hex-4-enoic acid ethyl ester Formula: C15H17NO2S MolecularWeight: 275.36598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CCSC1=CC=CC=C1)[N+]#[C-]

Isomeric SMILES

CCOC(=O)C(C/C=C/CSC1=CC=CC=C1)[N+]#[C-]

InChI

InChI=1S/C15H17NO2S/c1-3-18-15(17)14(16-2)11-7-8-12-19-13-9-5-4-6-10-13/h4-10,14H,3,11-12H2,1H3/b8-7+