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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(1-oxidanylideneisochromen-3-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(1-oxoisochromene-3-carbonyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[oxo-(1-oxo-2-benzopyran-3-yl)methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(1-oxoisochromene-3-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-5-[(1-ketoisochromene-3-carbonyl)amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H14N2O5S MolecularWeight: 382.38986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=CC=CC=C3C(=O)O2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=CC=CC=C3C(=O)O2)C#N)C

InChI

InChI=1S/C19H14N2O5S/c1-3-25-19(24)15-10(2)13(9-20)17(27-15)21-16(22)14-8-11-6-4-5-7-12(11)18(23)26-14/h4-8H,3H2,1-2H3,(H,21,22)