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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid 2-phthalimidoethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20N2O5S/c1-12(24)22-18-17(15-8-4-5-9-16(15)29-18)21(27)28-11-10-23-19(25)13-6-2-3-7-14(13)20(23)26/h2-3,6-7H,4-5,8-11H2,1H3,(H,22,24)