methyl (2R)-4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)CN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)CN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H16N4O3S/c1-21-14(20)12-8-17(6-7-22-12)9-18-13(19)10-4-2-3-5-11(10)15-16-18/h2-5,12H,6-9H2,1H3/t12-/m1/s1