[(2S,3S)-3-chloranyl-2-ethyl-2-methyl-4-oxidanylidene-chromen-3-yl] thiocyanate

Systemtic Name: [(2S,3S)-3-chloranyl-2-ethyl-2-methyl-4-oxidanylidene-chromen-3-yl] thiocyanate Openeye Name: [(2S,3S)-3-chloro-2-ethyl-2-methyl-4-oxo-chroman-3-yl] thiocyanate CAS Name: thiocyanic acid [(2S,3S)-3-chloro-2-ethyl-2-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2S,3S)-3-chloro-2-ethyl-2-methyl-4-oxochromen-3-yl] thiocyanate Traditional Name: thiocyanic acid [(2S,3S)-3-chloro-2-ethyl-4-keto-2-methyl-chroman-3-yl] ester Formula: C13H12ClNO2S MolecularWeight: 281.75788

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(=O)C2=CC=CC=C2O1)(SC#N)Cl)C

Isomeric SMILES

CC[C@]1([C@](C(=O)C2=CC=CC=C2O1)(SC#N)Cl)C

InChI

InChI=1S/C13H12ClNO2S/c1-3-12(2)13(14,18-8-15)11(16)9-6-4-5-7-10(9)17-12/h4-7H,3H2,1-2H3/t12-,13-/m0/s1