methyl (2R)-4-[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[[4-chloro-3-(2-oxo-1-pyrrolidinyl)phenyl]-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[4-chloro-3-(2-ketopyrrolidino)benzoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O4S/c1-24-17(23)14-10-19(7-8-25-14)16(22)11-4-5-12(18)13(9-11)20-6-2-3-15(20)21/h4-5,9,14H,2-3,6-8,10H2,1H3/t14-/m1/s1