methyl (2R)-4-[2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(4-chloro-2,6-dimethyl-phenoxy)acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-(4-chloro-2,6-dimethylphenoxy)-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(4-chloro-2,6-dimethylphenoxy)acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(4-chloro-2,6-dimethyl-phenoxy)acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H20ClNO4S MolecularWeight: 357.8523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)N2CCSC(C2)C(=O)OC)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)N2CCS[C@H](C2)C(=O)OC)C)Cl

InChI

InChI=1S/C16H20ClNO4S/c1-10-6-12(17)7-11(2)15(10)22-9-14(19)18-4-5-23-13(8-18)16(20)21-3/h6-7,13H,4-5,8-9H2,1-3H3/t13-/m1/s1