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

Systemtic Name: ethyl (2S)-2-[(2S)-2-ethyl-6-methanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate Openeye Name: ethyl (2S)-2-[(2S)-2-ethyl-6-formyl-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2S)-2-ethyl-6-formyl-3-oxo-1,4-benzoxazin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2S)-2-ethyl-6-formyl-3-oxo-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2S)-2-ethyl-6-formyl-3-keto-1,4-benzoxazin-4-yl]butyric acid ethyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C=O)C(CC)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)C=O)[C@@H](CC)C(=O)OCC

InChI

InChI=1S/C17H21NO5/c1-4-12(17(21)22-6-3)18-13-9-11(10-19)7-8-15(13)23-14(5-2)16(18)20/h7-10,12,14H,4-6H2,1-3H3/t12-,14-/m0/s1