(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C(C(C)C)NC(=O)C3=CC=CO3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)[C@H](C(C)C)NC(=O)C3=CC=CO3)O

InChI

InChI=1S/C22H23NO7/c1-4-13-8-15-14(9-19(25)30-18(15)10-16(13)24)11-29-22(27)20(12(2)3)23-21(26)17-6-5-7-28-17/h5-10,12,20,24H,4,11H2,1-3H3,(H,23,26)/t20-/m0/s1