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

Systemtic Name: diethyl 3-methyl-5-[(1-oxidanylideneisochromen-3-yl)carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C21H19NO7S MolecularWeight: 429.44306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C21H19NO7S/c1-4-27-20(25)15-11(3)16(21(26)28-5-2)30-18(15)22-17(23)14-10-12-8-6-7-9-13(12)19(24)29-14/h6-10H,4-5H2,1-3H3,(H,22,23)