ethyl 2-[[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[4-(1-pyrrolidinylsulfonylmethyl)phenyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(pyrrolidinosulfonylmethyl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H28N2O5S2 MolecularWeight: 476.60882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S2/c1-2-30-23(27)20-18-7-3-4-8-19(18)31-22(20)24-21(26)17-11-9-16(10-12-17)15-32(28,29)25-13-5-6-14-25/h9-12H,2-8,13-15H2,1H3,(H,24,26)