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

Systemtic Name: methyl 4,5-dimethyl-2-[(1-oxidanylideneisochromen-3-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(1-oxoisochromene-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[oxo-(1-oxo-2-benzopyran-3-yl)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(1-oxoisochromene-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(1-ketoisochromene-3-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=CC=CC=C3C(=O)O2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=CC=CC=C3C(=O)O2)C

InChI

InChI=1S/C18H15NO5S/c1-9-10(2)25-16(14(9)18(22)23-3)19-15(20)13-8-11-6-4-5-7-12(11)17(21)24-13/h4-8H,1-3H3,(H,19,20)