methyl (2R)-4-[4-[(4-chloranylphenoxy)methyl]phenyl]carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[4-[(4-chloranylphenoxy)methyl]phenyl]carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[4-[(4-chlorophenoxy)methyl]benzoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[[4-[(4-chlorophenoxy)methyl]phenyl]-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[4-[(4-chlorophenoxy)methyl]benzoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[4-[(4-chlorophenoxy)methyl]benzoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C20H20ClNO4S MolecularWeight: 405.8951

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClNO4S/c1-25-20(24)18-12-22(10-11-27-18)19(23)15-4-2-14(3-5-15)13-26-17-8-6-16(21)7-9-17/h2-9,18H,10-13H2,1H3/t18-/m1/s1