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

Systemtic Name: ethyl 2-[(3-methyl-1-oxidanylidene-4H-isochromen-3-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-methyl-1-oxo-isochromane-3-carbonyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-keto-3-methyl-isochroman-3-carbonyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H21NO5S MolecularWeight: 435.49224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C24H21NO5S/c1-3-29-22(27)19-18(15-9-5-4-6-10-15)14-31-20(19)25-23(28)24(2)13-16-11-7-8-12-17(16)21(26)30-24/h4-12,14H,3,13H2,1-2H3,(H,25,28)