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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(1-oxidanylideneisochromen-3-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(1-oxoisochromene-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[oxo-(1-oxo-2-benzopyran-3-yl)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(1-oxoisochromene-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(1-ketoisochromene-3-carbonyl)amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=CC=CC=C3C(=O)O2)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=CC=CC=C3C(=O)O2)C(=O)OC)C

InChI

InChI=1S/C22H22N2O6S/c1-5-24(6-2)20(26)17-12(3)16(22(28)29-4)19(31-17)23-18(25)15-11-13-9-7-8-10-14(13)21(27)30-15/h7-11H,5-6H2,1-4H3,(H,23,25)