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

Systemtic Name: propan-2-yl 4-cyano-3-methyl-5-[(1-oxidanylideneisochromen-3-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C20H16N2O5S MolecularWeight: 396.41644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O5S/c1-10(2)26-20(25)16-11(3)14(9-21)18(28-16)22-17(23)15-8-12-6-4-5-7-13(12)19(24)27-15/h4-8,10H,1-3H3,(H,22,23)