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

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C20H18BrNO5S MolecularWeight: 464.32962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrNO5S/c1-11(2)18(22-19(24)16-4-3-7-28-16)20(25)26-10-12-8-17(23)27-15-9-13(21)5-6-14(12)15/h3-9,11,18H,10H2,1-2H3,(H,22,24)