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

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[(1-oxidanylideneisochromen-3-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[(1-oxoisochromene-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[oxo-(1-oxo-2-benzopyran-3-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[(1-oxoisochromene-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-2-[(1-ketoisochromene-3-carbonyl)amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H17NO6S MolecularWeight: 399.41708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO6S/c1-4-26-20(25)15-10(2)16(11(3)22)28-18(15)21-17(23)14-9-12-7-5-6-8-13(12)19(24)27-14/h5-9H,4H2,1-3H3,(H,21,23)