[(1R,2S)-3-(4-methoxyphenyl)-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl] thiocyanate

Systemtic Name: [(1R,2S)-3-(4-methoxyphenyl)-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl] thiocyanate Openeye Name: [(1R,2S)-2-hydroxy-3-(4-methoxyphenyl)-3-oxo-1-phenyl-propyl] thiocyanate CAS Name: thiocyanic acid [(1R,2S)-2-hydroxy-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl] ester IUPAC Name: [(1R,2S)-2-hydroxy-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl] thiocyanate Traditional Name: thiocyanic acid [(1R,2S)-2-hydroxy-3-keto-3-(4-methoxyphenyl)-1-phenyl-propyl] ester Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(C(C2=CC=CC=C2)SC#N)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)[C@@H]([C@@H](C2=CC=CC=C2)SC#N)O

InChI

InChI=1S/C17H15NO3S/c1-21-14-9-7-12(8-10-14)15(19)16(20)17(22-11-18)13-5-3-2-4-6-13/h2-10,16-17,20H,1H3/t16-,17+/m0/s1