ethyl (2S)-2-(3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)butanoate

Systemtic Name: ethyl (2S)-2-(3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)butanoate Openeye Name: ethyl (2S)-2-(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)butanoate CAS Name: (2S)-2-[3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)butanoate Traditional Name: (2S)-2-(3-keto-6-propionyl-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)N1C(=O)COC2=C1C=C(C=C2)C(=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-4-12(17(21)22-6-3)18-13-9-11(14(19)5-2)7-8-15(13)23-10-16(18)20/h7-9,12H,4-6,10H2,1-3H3/t12-/m0/s1