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

Systemtic Name: ethyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(2-phthalimidoacetyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H19N3O5S2/c1-4-28-19(27)15-10(2)11(3)30-16(15)22-20(29)21-14(24)9-23-17(25)12-7-5-6-8-13(12)18(23)26/h5-8H,4,9H2,1-3H3,(H2,21,22,24,29)