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

Systemtic Name: ethyl 3-[(2S)-6-(2-chloranylethanoyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Openeye Name: ethyl 3-[(2S)-6-(2-chloroacetyl)-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[(2S)-6-(2-chloro-1-oxoethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2S)-6-(2-chloroacetyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[(2S)-6-(2-chloroacetyl)-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]propionic acid ethyl ester Formula: C18H22ClNO5 MolecularWeight: 367.82398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=CC(=C2)C(=O)CCl)OC(C1=O)C(C)C

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=CC(=C2)C(=O)CCl)O[C@H](C1=O)C(C)C

InChI

InChI=1S/C18H22ClNO5/c1-4-24-16(22)7-8-20-13-9-12(14(21)10-19)5-6-15(13)25-17(11(2)3)18(20)23/h5-6,9,11,17H,4,7-8,10H2,1-3H3/t17-/m0/s1