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

Systemtic Name: methyl 3-[(1-oxidanylideneisochromen-3-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(1-oxoisochromene-3-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-(1-oxo-2-benzopyran-3-yl)methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(1-oxoisochromene-3-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(1-ketoisochromene-3-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C16H11NO5S MolecularWeight: 329.32724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C16H11NO5S/c1-21-16(20)13-11(6-7-23-13)17-14(18)12-8-9-4-2-3-5-10(9)15(19)22-12/h2-8H,1H3,(H,17,18)