[2-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-oxo-2-[3-(2-oxo-1-pyrrolidinyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-[3-(2-ketopyrrolidino)phenyl]ethyl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)OCC(=O)C3=CC(=CC=C3)N4CCCC4=O

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)OCC(=O)C3=CC(=CC=C3)N4CCCC4=O

InChI

InChI=1S/C21H21NO4S/c23-18(14-5-3-6-15(11-14)22-10-4-9-20(22)24)12-26-21(25)17-13-27-19-8-2-1-7-16(17)19/h3,5-6,11,13H,1-2,4,7-10,12H2