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

Systemtic Name: ethyl 5-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 3-methyl-5-(4-phthalimidobutanoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S/c1-3-27-20(26)17-12(2)11-16(28-17)21-15(23)9-6-10-22-18(24)13-7-4-5-8-14(13)19(22)25/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,21,23)