ethyl 5-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-(1,3-dioxo-2-isoindolyl)-1-oxo-3-phenylpropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(3-phenyl-2-phthalimido-propanoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C26H21N3O5S MolecularWeight: 487.52704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)C#N)C

InChI

InChI=1S/C26H21N3O5S/c1-3-34-26(33)21-15(2)19(14-27)23(35-21)28-22(30)20(13-16-9-5-4-6-10-16)29-24(31)17-11-7-8-12-18(17)25(29)32/h4-12,20H,3,13H2,1-2H3,(H,28,30)