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3-(diethylamino)propyl 1-phenylsulfanylcyclohexane-1-carboxylate

3-(diethylamino)propyl 1-phenylsulfanylcyclohexane-1-carboxylate

Systemtic Name:3-(diethylamino)propyl 1-phenylsulfanylcyclohexane-1-carboxylate
Openeye Name:3-(diethylamino)propyl 1-phenylsulfanylcyclohexanecarboxylate
CAS Name:1-(phenylthio)-1-cyclohexanecarboxylic acid 3-(diethylamino)propyl ester
IUPAC Name:3-(diethylamino)propyl 1-phenylsulfanylcyclohexane-1-carboxylate
Traditional Name:1-(phenylthio)cyclohexanecarboxylic acid 3-(diethylamino)propyl ester
Formula: C20H31NO2S
MolecularWeight: 349.53064
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCOC(=O)C1(CCCCC1)SC2=CC=CC=C2


Isomeric SMILES

CCN(CC)CCCOC(=O)C1(CCCCC1)SC2=CC=CC=C2


InChI

InChI=1S/C20H31NO2S/c1-3-21(4-2)16-11-17-23-19(22)20(14-9-6-10-15-20)24-18-12-7-5-8-13-18/h5,7-8,12-13H,3-4,6,9-11,14-17H2,1-2H3


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