methyl (2R)-4-[2-(4-pyrrol-1-ylphenyl)carbonyloxyethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-(4-pyrrol-1-ylphenyl)carbonyloxyethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(4-pyrrol-1-ylbenzoyl)oxyacetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[1-oxo-2-[oxo-[4-(1-pyrrolyl)phenyl]methoxy]ethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(4-pyrrol-1-ylbenzoyl)oxyacetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(4-pyrrol-1-ylbenzoyl)oxyacetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C19H20N2O5S/c1-25-19(24)16-12-21(10-11-27-16)17(22)13-26-18(23)14-4-6-15(7-5-14)20-8-2-3-9-20/h2-9,16H,10-13H2,1H3/t16-/m1/s1