methyl (2R)-4-(3-methoxy-4-phenylmethoxy-phenyl)carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(3-methoxy-4-phenylmethoxy-phenyl)carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(4-benzyloxy-3-methoxy-benzoyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(3-methoxy-4-phenylmethoxyphenyl)-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(3-methoxy-4-phenylmethoxybenzoyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(4-benzoxy-3-methoxy-benzoyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCSC(C2)C(=O)OC)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCS[C@H](C2)C(=O)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO5S/c1-25-18-12-16(8-9-17(18)27-14-15-6-4-3-5-7-15)20(23)22-10-11-28-19(13-22)21(24)26-2/h3-9,12,19H,10-11,13-14H2,1-2H3/t19-/m1/s1