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

Systemtic Name: methyl 3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]thiophene-2-carboxylate CAS Name: 3-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]thiophene-2-carboxylate Traditional Name: 3-(4-phthalimidobutanoylamino)thiophene-2-carboxylic acid methyl ester Formula: C18H16N2O5S MolecularWeight: 372.39504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H16N2O5S/c1-25-18(24)15-13(8-10-26-15)19-14(21)7-4-9-20-16(22)11-5-2-3-6-12(11)17(20)23/h2-3,5-6,8,10H,4,7,9H2,1H3,(H,19,21)