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

Systemtic Name: 3-(dimethylamino)propyl 1-phenylsulfanylcyclohexane-1-carboxylate Openeye Name: 3-(dimethylamino)propyl 1-phenylsulfanylcyclohexanecarboxylate CAS Name: 1-(phenylthio)-1-cyclohexanecarboxylic acid 3-(dimethylamino)propyl ester IUPAC Name: 3-(dimethylamino)propyl 1-phenylsulfanylcyclohexane-1-carboxylate Traditional Name: 1-(phenylthio)cyclohexanecarboxylic acid 3-(dimethylamino)propyl ester Formula: C18H27NO2S MolecularWeight: 321.47748

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC(=O)C1(CCCCC1)SC2=CC=CC=C2

Isomeric SMILES

CN(C)CCCOC(=O)C1(CCCCC1)SC2=CC=CC=C2

InChI

InChI=1S/C18H27NO2S/c1-19(2)14-9-15-21-17(20)18(12-7-4-8-13-18)22-16-10-5-3-6-11-16/h3,5-6,10-11H,4,7-9,12-15H2,1-2H3