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

Systemtic Name: ethyl (2S)-2-[(2S)-6-(2-chloranylethanoyl)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate Openeye Name: ethyl (2S)-2-[(2S)-6-(2-chloroacetyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2S)-6-(2-chloro-1-oxoethyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2S)-6-(2-chloroacetyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2S)-6-(2-chloroacetyl)-3-keto-2-methyl-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)N1C2=C(C=CC(=C2)C(=O)CCl)OC(C1=O)C

Isomeric SMILES

CC[C@@H](C(=O)OCC)N1C2=C(C=CC(=C2)C(=O)CCl)O[C@H](C1=O)C

InChI

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