(2S,3R)-3-methyl-2-(5-methylthiophen-2-yl)cycloheptan-1-one

Systemtic Name: (2S,3R)-3-methyl-2-(5-methylthiophen-2-yl)cycloheptan-1-one Openeye Name: (2S,3R)-3-methyl-2-(5-methyl-2-thienyl)cycloheptanone CAS Name: (2S,3R)-3-methyl-2-(5-methyl-2-thiophenyl)-1-cycloheptanone IUPAC Name: (2S,3R)-3-methyl-2-(5-methylthiophen-2-yl)cycloheptan-1-one Traditional Name: (2S,3R)-3-methyl-2-(5-methyl-2-thienyl)cycloheptanone Formula: C13H18OS MolecularWeight: 222.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC(=O)C1C2=CC=C(S2)C

Isomeric SMILES

C[C@@H]1CCCCC(=O)[C@H]1C2=CC=C(S2)C

InChI

InChI=1S/C13H18OS/c1-9-5-3-4-6-11(14)13(9)12-8-7-10(2)15-12/h7-9,13H,3-6H2,1-2H3/t9-,13+/m1/s1