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

Systemtic Name: methyl (2S)-2-[(2S)-6-(2-chloranylethanoyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Openeye Name: methyl (2S)-2-[(2S)-6-(2-chloroacetyl)-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[(2S)-6-(2-chloro-1-oxoethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2S)-6-(2-chloroacetyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[(2S)-6-(2-chloroacetyl)-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]propionic acid methyl ester Formula: C17H20ClNO5 MolecularWeight: 353.7974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCl)C(C)C(=O)OC

Isomeric SMILES

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

InChI

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