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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1C(=O)COC2=C1C=C(C=C2)C(=O)C(C)Cl

Isomeric SMILES

CC[C@@H](C(=O)OCC)N1C(=O)COC2=C1C=C(C=C2)C(=O)[C@H](C)Cl

InChI

InChI=1S/C17H20ClNO5/c1-4-12(17(22)23-5-2)19-13-8-11(16(21)10(3)18)6-7-14(13)24-9-15(19)20/h6-8,10,12H,4-5,9H2,1-3H3/t10-,12-/m0/s1