ethyl (E)-5-(5-isothiocyanato-2-oxidanyl-phenyl)pent-2-enoate

Systemtic Name: ethyl (E)-5-(5-isothiocyanato-2-oxidanyl-phenyl)pent-2-enoate Openeye Name: ethyl (E)-5-(2-hydroxy-5-isothiocyanato-phenyl)pent-2-enoate CAS Name: (E)-5-(2-hydroxy-5-isothiocyanatophenyl)-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-5-(2-hydroxy-5-isothiocyanatophenyl)pent-2-enoate Traditional Name: (E)-5-(2-hydroxy-5-isothiocyanato-phenyl)pent-2-enoic acid ethyl ester Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCCC1=C(C=CC(=C1)N=C=S)O

Isomeric SMILES

CCOC(=O)/C=C/CCC1=C(C=CC(=C1)N=C=S)O

InChI

InChI=1S/C14H15NO3S/c1-2-18-14(17)6-4-3-5-11-9-12(15-10-19)7-8-13(11)16/h4,6-9,16H,2-3,5H2,1H3/b6-4+