ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(1-oxoisochromane-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[(1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[(1-ketoisochroman-3-carbonyl)amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C21H22N2O6S/c1-5-28-21(27)15-11(2)16(19(25)23(3)4)30-18(15)22-17(24)14-10-12-8-6-7-9-13(12)20(26)29-14/h6-9,14H,5,10H2,1-4H3,(H,22,24)