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

Systemtic Name: ethyl 2-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-allyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(1,3-dioxo-2-prop-2-enyl-5-isoindolyl)-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1,3-dioxo-2-prop-2-enylisoindole-5-carbonyl)amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(2-allyl-1,3-diketo-isoindoline-5-carbonyl)amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C)C(=O)OCC

InChI

InChI=1S/C21H20N2O5S/c1-4-9-23-19(25)14-8-7-12(10-15(14)20(23)26)17(24)22-18-16(21(27)28-6-3)11-13(5-2)29-18/h4,7-8,10-11H,1,5-6,9H2,2-3H3,(H,22,24)