methyl (2R)-4-[(4-ethanoyl-1H-pyrrol-2-yl)carbonyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(4-ethanoyl-1H-pyrrol-2-yl)carbonyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(4-acetyl-1H-pyrrole-2-carbonyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(4-acetyl-1H-pyrrol-2-yl)-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(4-acetyl-1H-pyrrole-2-carbonyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(4-acetyl-1H-pyrrole-2-carbonyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)N2CCSC(C2)C(=O)OC

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)N2CCS[C@H](C2)C(=O)OC

InChI

InChI=1S/C13H16N2O4S/c1-8(16)9-5-10(14-6-9)12(17)15-3-4-20-11(7-15)13(18)19-2/h5-6,11,14H,3-4,7H2,1-2H3/t11-/m1/s1