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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OCC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OCC)N2C(=O)C3=CC=CC=C3C2=O

InChI

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