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

Systemtic Name: ethyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(1,3-dioxoisoindolin-2-yl)butanoylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-dioxoisoindol-2-yl)butanoylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 5-ethyl-2-(2-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)C(CC)N2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C(CC)N2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC

InChI

InChI=1S/C21H22N2O5S/c1-4-12-11-15(21(27)28-6-3)18(29-12)22-17(24)16(5-2)23-19(25)13-9-7-8-10-14(13)20(23)26/h7-11,16H,4-6H2,1-3H3,(H,22,24)