(2R,3S)-3-isothiocyanato-3-methyl-2-phenyl-2H-chromen-4-one

Systemtic Name: (2R,3S)-3-isothiocyanato-3-methyl-2-phenyl-2H-chromen-4-one Openeye Name: (2R,3S)-3-isothiocyanato-3-methyl-2-phenyl-chroman-4-one CAS Name: (2R,3S)-3-isothiocyanato-3-methyl-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (2R,3S)-3-isothiocyanato-3-methyl-2-phenyl-2H-chromen-4-one Traditional Name: (2R,3S)-3-isothiocyanato-3-methyl-2-phenyl-chroman-4-one Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3)N=C=S

Isomeric SMILES

C[C@@]1([C@H](OC2=CC=CC=C2C1=O)C3=CC=CC=C3)N=C=S

InChI

InChI=1S/C17H13NO2S/c1-17(18-11-21)15(19)13-9-5-6-10-14(13)20-16(17)12-7-3-2-4-8-12/h2-10,16H,1H3/t16-,17-/m1/s1