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

Systemtic Name: methyl 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-acetyl-2-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-(4-phthalimidobutanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C

InChI

InChI=1S/C21H20N2O6S/c1-11-16(21(28)29-3)18(30-17(11)12(2)24)22-15(25)9-6-10-23-19(26)13-7-4-5-8-14(13)20(23)27/h4-5,7-8H,6,9-10H2,1-3H3,(H,22,25)