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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-5-12(17(21)22-4)18-13-9-11(14(19)6-2)7-8-15(13)23-10(3)16(18)20/h7-10,12H,5-6H2,1-4H3/t10-,12-/m0/s1