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

Systemtic Name: ethyl 2-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(1-oxoisochromane-3-carbonyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-ketoisochroman-3-carbonyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H19NO5S MolecularWeight: 421.46566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C23H19NO5S/c1-2-28-23(27)19-17(14-8-4-3-5-9-14)13-30-21(19)24-20(25)18-12-15-10-6-7-11-16(15)22(26)29-18/h3-11,13,18H,2,12H2,1H3,(H,24,25)