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

Systemtic Name: ethyl (2S)-2-[(2S)-6-ethanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate Openeye Name: ethyl (2S)-2-[(2S)-6-acetyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2S)-6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2S)-6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2S)-6-acetyl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]butyric acid ethyl ester Formula: C19H25NO5 MolecularWeight: 347.4055

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5/c1-6-14(19(23)24-7-2)20-15-10-13(12(5)21)8-9-16(15)25-17(11(3)4)18(20)22/h8-11,14,17H,6-7H2,1-5H3/t14-,17-/m0/s1