methyl (2R)-4-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)CN2C(=O)CCOC3=CC=CC=C32

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)CN2C(=O)CCOC3=CC=CC=C32

InChI

InChI=1S/C17H20N2O5S/c1-23-17(22)14-10-18(7-9-25-14)16(21)11-19-12-4-2-3-5-13(12)24-8-6-15(19)20/h2-5,14H,6-11H2,1H3/t14-/m1/s1