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

Systemtic Name: ethyl 5-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(4-phthalimidobutanoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C#N)C

InChI

InChI=1S/C21H19N3O5S/c1-3-29-21(28)17-12(2)15(11-22)18(30-17)23-16(25)9-6-10-24-19(26)13-7-4-5-8-14(13)20(24)27/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,23,25)