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

Systemtic Name: ethyl 2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(2-ketopyrrolidino)phenyl]sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C21H24N2O5S2/c1-2-28-21(25)19-16-6-3-4-7-17(16)29-20(19)22-30(26,27)15-11-9-14(10-12-15)23-13-5-8-18(23)24/h9-12,22H,2-8,13H2,1H3