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

Systemtic Name: ethyl 4,5-dimethyl-2-[3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[3-(5-methyl-1,3-dioxo-isoindolin-2-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[3-(5-methyl-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 2-[3-(1,3-diketo-5-methyl-isoindolin-2-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C

InChI

InChI=1S/C21H22N2O5S/c1-5-28-21(27)17-12(3)13(4)29-18(17)22-16(24)8-9-23-19(25)14-7-6-11(2)10-15(14)20(23)26/h6-7,10H,5,8-9H2,1-4H3,(H,22,24)