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

Systemtic Name: ethyl 5-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[2-(1,3-dioxoisoindolin-2-yl)propanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(2-phthalimidopropanoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H17N3O5S/c1-4-28-20(27)15-10(2)14(9-21)17(29-15)22-16(24)11(3)23-18(25)12-7-5-6-8-13(12)19(23)26/h5-8,11H,4H2,1-3H3,(H,22,24)