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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC(C)C(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C23H23N3O5S/c1-5-12(3)17(26-21(28)14-9-7-8-10-15(14)22(26)29)19(27)25-20-16(11-24)13(4)18(32-20)23(30)31-6-2/h7-10,12,17H,5-6H2,1-4H3,(H,25,27)