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

Systemtic Name: ethyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[(2-phthalimidoacetyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H21N3O5S2 MolecularWeight: 507.58134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H21N3O5S2/c1-3-33-24(32)20-19(15-9-5-4-6-10-15)14(2)35-21(20)27-25(34)26-18(29)13-28-22(30)16-11-7-8-12-17(16)23(28)31/h4-12H,3,13H2,1-2H3,(H2,26,27,29,34)