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

Systemtic Name: ethyl 5-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-(1,3-dioxo-2-isoindolyl)-3-methyl-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(3-methyl-2-phthalimido-butanoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C(C)C)N2C(=O)C3=CC=CC=C3C2=O)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C(C)C)N2C(=O)C3=CC=CC=C3C2=O)C#N)C

InChI

InChI=1S/C22H21N3O5S/c1-5-30-22(29)17-12(4)15(10-23)19(31-17)24-18(26)16(11(2)3)25-20(27)13-8-6-7-9-14(13)21(25)28/h6-9,11,16H,5H2,1-4H3,(H,24,26)