[(2S)-butan-2-yl] (2S)-2-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: [(2S)-butan-2-yl] (2S)-2-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: [(1S)-1-methylpropyl] (2S)-2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: (2S)-2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid [(2S)-butan-2-yl] ester IUPAC Name: [(2S)-butan-2-yl] (2S)-2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: (2S)-2-(6-acetyl-3-keto-1,4-benzoxazin-4-yl)propionic acid [(1S)-1-methylpropyl] ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C(C)N1C(=O)COC2=C1C=C(C=C2)C(=O)C

Isomeric SMILES

CC[C@H](C)OC(=O)[C@H](C)N1C(=O)COC2=C1C=C(C=C2)C(=O)C

InChI

InChI=1S/C17H21NO5/c1-5-10(2)23-17(21)11(3)18-14-8-13(12(4)19)6-7-15(14)22-9-16(18)20/h6-8,10-11H,5,9H2,1-4H3/t10-,11-/m0/s1