ethyl 4-ethyl-5-methyl-2-[(1-oxidanylideneisochromen-3-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[(1-oxidanylideneisochromen-3-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-5-methyl-2-[(1-oxoisochromene-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[oxo-(1-oxo-2-benzopyran-3-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[(1-oxoisochromene-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-2-[(1-ketoisochromene-3-carbonyl)amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2=CC3=CC=CC=C3C(=O)O2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2=CC3=CC=CC=C3C(=O)O2)C

InChI

InChI=1S/C20H19NO5S/c1-4-13-11(3)27-18(16(13)20(24)25-5-2)21-17(22)15-10-12-8-6-7-9-14(12)19(23)26-15/h6-10H,4-5H2,1-3H3,(H,21,22)