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

Systemtic Name: methyl 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(4-phthalimidobutanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O5S/c1-15-20(16-9-4-3-5-10-16)21(25(31)32-2)22(33-15)26-19(28)13-8-14-27-23(29)17-11-6-7-12-18(17)24(27)30/h3-7,9-12H,8,13-14H2,1-2H3,(H,26,28)