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

Systemtic Name: dimethyl 3-methyl-5-[(1-oxidanylideneisochromen-3-yl)carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C19H15NO7S MolecularWeight: 401.3899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15NO7S/c1-9-13(18(23)25-2)16(28-14(9)19(24)26-3)20-15(21)12-8-10-6-4-5-7-11(10)17(22)27-12/h4-8H,1-3H3,(H,20,21)