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

Systemtic Name: ethyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(1,3-dioxoisoindolin-2-yl)butanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-dioxoisoindol-2-yl)butanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 4-phenyl-2-(2-phthalimidobutanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H22N2O5S/c1-3-19(27-23(29)16-12-8-9-13-17(16)24(27)30)21(28)26-22-20(25(31)32-4-2)18(14-33-22)15-10-6-5-7-11-15/h5-14,19H,3-4H2,1-2H3,(H,26,28)