4-[(4-fluorophenyl)methoxy]-2,6-dimethyl-2-phenylsulfanyl-morpholine-3-carboxylic acid

Systemtic Name: 4-[(4-fluorophenyl)methoxy]-2,6-dimethyl-2-phenylsulfanyl-morpholine-3-carboxylic acid Openeye Name: 4-[(4-fluorophenyl)methoxy]-2,6-dimethyl-2-phenylsulfanyl-morpholine-3-carboxylic acid CAS Name: 4-[(4-fluorophenyl)methoxy]-2,6-dimethyl-2-(phenylthio)-3-morpholinecarboxylic acid IUPAC Name: 4-[(4-fluorophenyl)methoxy]-2,6-dimethyl-2-phenylsulfanylmorpholine-3-carboxylic acid Traditional Name: 4-(4-fluorobenzyl)oxy-2,6-dimethyl-2-(phenylthio)morpholine-3-carboxylic acid Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C(O1)(C)SC2=CC=CC=C2)C(=O)O)OCC3=CC=C(C=C3)F

Isomeric SMILES

CC1CN(C(C(O1)(C)SC2=CC=CC=C2)C(=O)O)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FNO4S/c1-14-12-22(25-13-15-8-10-16(21)11-9-15)18(19(23)24)20(2,26-14)27-17-6-4-3-5-7-17/h3-11,14,18H,12-13H2,1-2H3,(H,23,24)