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

Systemtic Name: methyl (2S)-2-[(2S)-6-(2-chloranylethanoyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate Openeye Name: methyl (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]butanoic acid methyl ester IUPAC Name: methyl (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]butyric acid methyl ester Formula: C18H22ClNO5 MolecularWeight: 367.82398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClNO5/c1-5-12(18(23)24-4)20-13-8-11(14(21)9-19)6-7-15(13)25-16(10(2)3)17(20)22/h6-8,10,12,16H,5,9H2,1-4H3/t12-,16-/m0/s1