methyl (2R)-4-[2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[1-oxo-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]ethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-[(2S)-3-keto-4H-1,4-benzoxazin-2-yl]acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)CC2C(=O)NC3=CC=CC=C3O2

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C[C@H]2C(=O)NC3=CC=CC=C3O2

InChI

InChI=1S/C16H18N2O5S/c1-22-16(21)13-9-18(6-7-24-13)14(19)8-12-15(20)17-10-4-2-3-5-11(10)23-12/h2-5,12-13H,6-9H2,1H3,(H,17,20)/t12-,13+/m0/s1