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

Systemtic Name: (2S)-2-[(2S)-6-ethanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate Openeye Name: (2S)-2-[(2S)-6-acetyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2S)-6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate IUPAC Name: (2S)-2-[(2S)-6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2S)-6-acetyl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]butyrate Formula: C17H20NO5- MolecularWeight: 318.3444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-5-12(17(21)22)18-13-8-11(10(4)19)6-7-14(13)23-15(9(2)3)16(18)20/h6-9,12,15H,5H2,1-4H3,(H,21,22)/p-1/t12-,15-/m0/s1