ethyl 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(4-phthalimidobutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H24N2O5S MolecularWeight: 440.51206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H24N2O5S/c1-2-30-23(29)19-16-10-5-6-11-17(16)31-20(19)24-18(26)12-7-13-25-21(27)14-8-3-4-9-15(14)22(25)28/h3-4,8-9H,2,5-7,10-13H2,1H3,(H,24,26)