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

Systemtic Name: methyl (2R)-4-[2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[1-oxo-2-[4-(2-oxo-1-pyrrolidinyl)phenyl]ethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-[4-(2-ketopyrrolidino)phenyl]acetyl]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)CC2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)CC2=CC=C(C=C2)N3CCCC3=O

InChI

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