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

Systemtic Name: (2S)-2-[(2S)-6-(2-chloranylethanoyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate Openeye Name: (2S)-2-[(2S)-6-(2-chloroacetyl)-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2S)-6-(2-chloro-1-oxoethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate IUPAC Name: (2S)-2-[(2S)-6-(2-chloroacetyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2S)-6-(2-chloroacetyl)-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]butyrate Formula: C17H19ClNO5- MolecularWeight: 352.78946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C2=C(C=CC(=C2)C(=O)CCl)OC(C1=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO5/c1-4-11(17(22)23)19-12-7-10(13(20)8-18)5-6-14(12)24-15(9(2)3)16(19)21/h5-7,9,11,15H,4,8H2,1-3H3,(H,22,23)/p-1/t11-,15-/m0/s1