ethyl 5-phenyl-2-sulfanyl-cyclohexene-1-carboxylate

Systemtic Name: ethyl 5-phenyl-2-sulfanyl-cyclohexene-1-carboxylate Openeye Name: ethyl 5-phenyl-2-sulfanyl-cyclohexene-1-carboxylate CAS Name: 2-mercapto-5-phenyl-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-sulfanylcyclohexene-1-carboxylate Traditional Name: 2-mercapto-5-phenyl-cyclohexene-1-carboxylic acid ethyl ester Formula: C15H18O2S MolecularWeight: 262.36722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CCC(C1)C2=CC=CC=C2)S

Isomeric SMILES

CCOC(=O)C1=C(CCC(C1)C2=CC=CC=C2)S

InChI

InChI=1S/C15H18O2S/c1-2-17-15(16)13-10-12(8-9-14(13)18)11-6-4-3-5-7-11/h3-7,12,18H,2,8-10H2,1H3