(2S,3S)-3-methyl-2-(phenylsulfanylmethyl)cycloheptan-1-one

Systemtic Name: (2S,3S)-3-methyl-2-(phenylsulfanylmethyl)cycloheptan-1-one Openeye Name: (2S,3S)-3-methyl-2-(phenylsulfanylmethyl)cycloheptanone CAS Name: (2S,3S)-3-methyl-2-[(phenylthio)methyl]-1-cycloheptanone IUPAC Name: (2S,3S)-3-methyl-2-(phenylsulfanylmethyl)cycloheptan-1-one Traditional Name: (2S,3S)-3-methyl-2-[(phenylthio)methyl]cycloheptanone Formula: C15H20OS MolecularWeight: 248.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC(=O)C1CSC2=CC=CC=C2

Isomeric SMILES

C[C@H]1CCCCC(=O)[C@H]1CSC2=CC=CC=C2

InChI

InChI=1S/C15H20OS/c1-12-7-5-6-10-15(16)14(12)11-17-13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3/t12-,14-/m0/s1