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

Systemtic Name: (2S,3S)-3-ethyl-2-(phenylsulfanylmethyl)cycloheptan-1-one Openeye Name: (2S,3S)-3-ethyl-2-(phenylsulfanylmethyl)cycloheptanone CAS Name: (2S,3S)-3-ethyl-2-[(phenylthio)methyl]-1-cycloheptanone IUPAC Name: (2S,3S)-3-ethyl-2-(phenylsulfanylmethyl)cycloheptan-1-one Traditional Name: (2S,3S)-3-ethyl-2-[(phenylthio)methyl]cycloheptanone Formula: C16H22OS MolecularWeight: 262.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCC(=O)C1CSC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H22OS/c1-2-13-8-6-7-11-16(17)15(13)12-18-14-9-4-3-5-10-14/h3-5,9-10,13,15H,2,6-8,11-12H2,1H3/t13-,15-/m0/s1