ethyl (2S)-2-[(2S)-6-ethanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate

Systemtic Name: ethyl (2S)-2-[(2S)-6-ethanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate Openeye Name: ethyl (2S)-2-[(2S)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2S)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2S)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2S)-6-acetyl-3-keto-2-methyl-1,4-benzoxazin-4-yl]butyric acid ethyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1C2=C(C=CC(=C2)C(=O)C)OC(C1=O)C

Isomeric SMILES

CC[C@@H](C(=O)OCC)N1C2=C(C=CC(=C2)C(=O)C)O[C@H](C1=O)C

InChI

InChI=1S/C17H21NO5/c1-5-13(17(21)22-6-2)18-14-9-12(10(3)19)7-8-15(14)23-11(4)16(18)20/h7-9,11,13H,5-6H2,1-4H3/t11-,13-/m0/s1