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

Systemtic Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[(1-oxoisochromane-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-methyl-5-(methylcarbamoyl)-2-[[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[(1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(1-ketoisochroman-3-carbonyl)amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6S/c1-4-27-20(26)14-10(2)15(17(24)21-3)29-18(14)22-16(23)13-9-11-7-5-6-8-12(11)19(25)28-13/h5-8,13H,4,9H2,1-3H3,(H,21,24)(H,22,23)