[(2R,3S)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl] thiocyanate

Systemtic Name: [(2R,3S)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl] thiocyanate Openeye Name: [(2R,3S)-2-(4-methoxyphenyl)-4-oxo-chroman-3-yl] thiocyanate CAS Name: thiocyanic acid [(2R,3S)-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2R,3S)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] thiocyanate Traditional Name: thiocyanic acid [(2R,3S)-4-keto-2-(4-methoxyphenyl)chroman-3-yl] ester Formula: C17H13NO3S MolecularWeight: 311.35502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)C3=CC=CC=C3O2)SC#N

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)C3=CC=CC=C3O2)SC#N

InChI

InChI=1S/C17H13NO3S/c1-20-12-8-6-11(7-9-12)16-17(22-10-18)15(19)13-4-2-3-5-14(13)21-16/h2-9,16-17H,1H3/t16-,17-/m1/s1