(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2R)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2R)-3-methyl-2-(2-thenoylamino)butyric acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)O)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)O)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H19NO6S/c1-11(2)18(21-19(24)16-4-3-7-28-16)20(25)26-10-12-8-17(23)27-15-9-13(22)5-6-14(12)15/h3-9,11,18,22H,10H2,1-2H3,(H,21,24)/t18-/m1/s1