methyl (2R)-4-[4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[oxo-[4-[(2-oxo-1-pyrrolidinyl)methyl]phenyl]methyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[4-[(2-ketopyrrolidino)methyl]benzoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2=CC=C(C=C2)CN3CCCC3=O

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2=CC=C(C=C2)CN3CCCC3=O

InChI

InChI=1S/C18H22N2O4S/c1-24-18(23)15-12-20(9-10-25-15)17(22)14-6-4-13(5-7-14)11-19-8-2-3-16(19)21/h4-7,15H,2-3,8-12H2,1H3/t15-/m1/s1