ethyl 5-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[6-(1,3-dioxoisoindolin-2-yl)hexanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[6-(1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(6-phthalimidohexanoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O)C#N)C

InChI

InChI=1S/C23H23N3O5S/c1-3-31-23(30)19-14(2)17(13-24)20(32-19)25-18(27)11-5-4-8-12-26-21(28)15-9-6-7-10-16(15)22(26)29/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,25,27)