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

Systemtic Name: methyl (2R)-4-[2-(4-oxidanylidenecinnolin-1-yl)ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[1-oxo-2-(4-oxo-1-cinnolinyl)ethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(4-ketocinnolin-1-yl)acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)CN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)CN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C16H17N3O4S/c1-23-16(22)14-9-18(6-7-24-14)15(21)10-19-12-5-3-2-4-11(12)13(20)8-17-19/h2-5,8,14H,6-7,9-10H2,1H3/t14-/m1/s1