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

Systemtic Name: ethyl 3-[(2S)-6-[(2S)-2-chloranylpropanoyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: ethyl 3-[(2S)-6-[(2S)-2-chloropropanoyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[(2S)-6-[(2S)-2-chloro-1-oxopropyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2S)-6-[(2S)-2-chloropropanoyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[(2S)-6-[(2S)-2-chloropropanoyl]-3-keto-2-methyl-1,4-benzoxazin-4-yl]propionic acid ethyl ester Formula: C17H20ClNO5 MolecularWeight: 353.7974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO5/c1-4-23-15(20)7-8-19-13-9-12(16(21)10(2)18)5-6-14(13)24-11(3)17(19)22/h5-6,9-11H,4,7-8H2,1-3H3/t10-,11-/m0/s1