methyl 1-phenylsulfanylcycloheptane-1-carboxylate

Systemtic Name: methyl 1-phenylsulfanylcycloheptane-1-carboxylate Openeye Name: methyl 1-phenylsulfanylcycloheptanecarboxylate CAS Name: 1-(phenylthio)-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-phenylsulfanylcycloheptane-1-carboxylate Traditional Name: 1-(phenylthio)cycloheptanecarboxylic acid methyl ester Formula: C15H20O2S MolecularWeight: 264.3831

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCC1)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1(CCCCCC1)SC2=CC=CC=C2

InChI

InChI=1S/C15H20O2S/c1-17-14(16)15(11-7-2-3-8-12-15)18-13-9-5-4-6-10-13/h4-6,9-10H,2-3,7-8,11-12H2,1H3