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

Systemtic Name: ethyl (2S)-2-[(2S)-2-methyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl]butanoate Openeye Name: ethyl (2S)-2-[(2S)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2S)-2-methyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2S)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2S)-3-keto-2-methyl-6-propionyl-1,4-benzoxazin-4-yl]butyric acid ethyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-5-13(18(22)23-7-3)19-14-10-12(15(20)6-2)8-9-16(14)24-11(4)17(19)21/h8-11,13H,5-7H2,1-4H3/t11-,13-/m0/s1