ethyl 4,5-dimethyl-2-[(3-methyl-1-oxidanylidene-4H-isochromen-3-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[(3-methyl-1-oxidanylidene-4H-isochromen-3-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[(3-methyl-1-oxo-isochromane-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(1-keto-3-methyl-isochroman-3-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-5-25-18(23)15-11(2)12(3)27-16(15)21-19(24)20(4)10-13-8-6-7-9-14(13)17(22)26-20/h6-9H,5,10H2,1-4H3,(H,21,24)