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

Systemtic Name: methyl 5-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[(1-oxoisochromane-3-carbonyl)amino]thiophene-2-carboxylate CAS Name: 5-[[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 5-[(1-ketoisochroman-3-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C16H13NO5S MolecularWeight: 331.34312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)NC(=O)C2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

COC(=O)C1=CC=C(S1)NC(=O)C2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C16H13NO5S/c1-21-16(20)12-6-7-13(23-12)17-14(18)11-8-9-4-2-3-5-10(9)15(19)22-11/h2-7,11H,8H2,1H3,(H,17,18)