ethyl 1-ethyl-2-oxidanylidene-3-phenylsulfanyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl 1-ethyl-2-oxidanylidene-3-phenylsulfanyl-cyclohexane-1-carboxylate Openeye Name: ethyl 1-ethyl-2-oxo-3-phenylsulfanyl-cyclohexanecarboxylate CAS Name: 1-ethyl-2-oxo-3-(phenylthio)-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-oxo-3-phenylsulfanylcyclohexane-1-carboxylate Traditional Name: 1-ethyl-2-keto-3-(phenylthio)cyclohexanecarboxylic acid ethyl ester Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCC(C1=O)SC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC1(CCCC(C1=O)SC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C17H22O3S/c1-3-17(16(19)20-4-2)12-8-11-14(15(17)18)21-13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3