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

Systemtic Name: ethyl 2-[(2S)-3-oxidanylidene-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]ethanoate Openeye Name: ethyl 2-[(2S)-2-isopropyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-3-oxo-6-(1-oxopropyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S)-3-oxo-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-2-isopropyl-3-keto-6-propionyl-1,4-benzoxazin-4-yl]acetic acid ethyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)OCC)C(C)C

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)O[C@H](C(=O)N2CC(=O)OCC)C(C)C

InChI

InChI=1S/C18H23NO5/c1-5-14(20)12-7-8-15-13(9-12)19(10-16(21)23-6-2)18(22)17(24-15)11(3)4/h7-9,11,17H,5-6,10H2,1-4H3/t17-/m0/s1