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

Systemtic Name: ethyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(1,3-dioxoisoindolin-2-yl)propanoylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1,3-dioxoisoindol-2-yl)propanoylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(3-phthalimidopropanoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C26H23N3O5S2 MolecularWeight: 521.60792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H23N3O5S2/c1-3-34-25(33)21-20(16-9-5-4-6-10-16)15(2)36-22(21)28-26(35)27-19(30)13-14-29-23(31)17-11-7-8-12-18(17)24(29)32/h4-12H,3,13-14H2,1-2H3,(H2,27,28,30,35)