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

Systemtic Name: ethyl 2-[(2S)-6-[(2S)-2-chloranylpropanoyl]-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]ethanoate Openeye Name: ethyl 2-[(2S)-6-[(2S)-2-chloropropanoyl]-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-6-[(2S)-2-chloro-1-oxopropyl]-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S)-6-[(2S)-2-chloropropanoyl]-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-6-[(2S)-2-chloropropanoyl]-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]acetic acid ethyl ester Formula: C18H22ClNO5 MolecularWeight: 367.82398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)C(=O)C(C)Cl)OC(C1=O)C(C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)C(=O)[C@H](C)Cl)O[C@H](C1=O)C(C)C

InChI

InChI=1S/C18H22ClNO5/c1-5-24-15(21)9-20-13-8-12(16(22)11(4)19)6-7-14(13)25-17(10(2)3)18(20)23/h6-8,10-11,17H,5,9H2,1-4H3/t11-,17-/m0/s1