ethyl (1S,2R,5R)-4-methyl-2-morpholin-4-yl-5-phenylsulfanyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,2R,5R)-4-methyl-2-morpholin-4-yl-5-phenylsulfanyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,2R,5R)-4-methyl-2-morpholino-5-phenylsulfanyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,2R,5R)-4-methyl-2-(4-morpholinyl)-5-(phenylthio)-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R,5R)-4-methyl-2-morpholin-4-yl-5-phenylsulfanylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,2R,5R)-4-methyl-2-morpholino-5-(phenylthio)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C(=CC1N2CCOCC2)C)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1C[C@H](C(=C[C@H]1N2CCOCC2)C)SC3=CC=CC=C3

InChI

InChI=1S/C20H27NO3S/c1-3-24-20(22)17-14-19(25-16-7-5-4-6-8-16)15(2)13-18(17)21-9-11-23-12-10-21/h4-8,13,17-19H,3,9-12,14H2,1-2H3/t17-,18+,19+/m0/s1