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

Systemtic Name: ethyl 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 5-ethyl-2-(4-phthalimidobutanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC

InChI

InChI=1S/C21H22N2O5S/c1-3-13-12-16(21(27)28-4-2)18(29-13)22-17(24)10-7-11-23-19(25)14-8-5-6-9-15(14)20(23)26/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,22,24)