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

Systemtic Name: ethyl 4,5-dimethyl-2-[(1-oxidanylideneisochromen-3-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[(1-oxoisochromene-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[oxo-(1-oxo-2-benzopyran-3-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(1-oxoisochromene-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(1-ketoisochromene-3-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H17NO5S MolecularWeight: 371.40698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO5S/c1-4-24-19(23)15-10(2)11(3)26-17(15)20-16(21)14-9-12-7-5-6-8-13(12)18(22)25-14/h5-9H,4H2,1-3H3,(H,20,21)