dipropan-2-yl 3-methyl-5-[(1-oxidanylideneisochromen-3-yl)carbonylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dipropan-2-yl 3-methyl-5-[(1-oxidanylideneisochromen-3-yl)carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: diisopropyl 3-methyl-5-[(1-oxoisochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[oxo-(1-oxo-2-benzopyran-3-yl)methyl]amino]thiophene-2,4-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 3-methyl-5-[(1-oxoisochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[(1-ketoisochromene-3-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diisopropyl ester Formula: C23H23NO7S MolecularWeight: 457.49622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC3=CC=CC=C3C(=O)O2)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC3=CC=CC=C3C(=O)O2)C(=O)OC(C)C

InChI

InChI=1S/C23H23NO7S/c1-11(2)29-22(27)17-13(5)18(23(28)30-12(3)4)32-20(17)24-19(25)16-10-14-8-6-7-9-15(14)21(26)31-16/h6-12H,1-5H3,(H,24,25)