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

Systemtic Name: ethyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(1,3-dioxoisoindolin-2-yl)propanoylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1,3-dioxoisoindol-2-yl)propanoylcarbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(3-phthalimidopropanoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21N3O5S2/c1-4-29-20(28)16-11(2)12(3)31-17(16)23-21(30)22-15(25)9-10-24-18(26)13-7-5-6-8-14(13)19(24)27/h5-8H,4,9-10H2,1-3H3,(H2,22,23,25,30)