4-[(3-chlorophenyl)methoxy]-6-(iodanylmethyl)-2-methyl-2-phenylsulfanyl-morpholine-3-carboxylic acid

Systemtic Name: 4-[(3-chlorophenyl)methoxy]-6-(iodanylmethyl)-2-methyl-2-phenylsulfanyl-morpholine-3-carboxylic acid Openeye Name: 4-[(3-chlorophenyl)methoxy]-6-(iodomethyl)-2-methyl-2-phenylsulfanyl-morpholine-3-carboxylic acid CAS Name: 4-[(3-chlorophenyl)methoxy]-6-(iodomethyl)-2-methyl-2-(phenylthio)-3-morpholinecarboxylic acid IUPAC Name: 4-[(3-chlorophenyl)methoxy]-6-(iodomethyl)-2-methyl-2-phenylsulfanylmorpholine-3-carboxylic acid Traditional Name: 4-(3-chlorobenzyl)oxy-6-(iodomethyl)-2-methyl-2-(phenylthio)morpholine-3-carboxylic acid Formula: C20H21ClINO4S MolecularWeight: 533.80751

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CC(O1)CI)OCC2=CC(=CC=C2)Cl)C(=O)O)SC3=CC=CC=C3

Isomeric SMILES

CC1(C(N(CC(O1)CI)OCC2=CC(=CC=C2)Cl)C(=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C20H21ClINO4S/c1-20(28-17-8-3-2-4-9-17)18(19(24)25)23(12-16(11-22)27-20)26-13-14-6-5-7-15(21)10-14/h2-10,16,18H,11-13H2,1H3,(H,24,25)