methyl 5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzothiophene-2-carboxylate CAS Name: 5-[[1-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[3-(4-pyrrolidinosulfonylphenyl)propanoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H24N2O5S2 MolecularWeight: 472.57706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H24N2O5S2/c1-30-23(27)21-15-17-14-18(7-10-20(17)31-21)24-22(26)11-6-16-4-8-19(9-5-16)32(28,29)25-12-2-3-13-25/h4-5,7-10,14-15H,2-3,6,11-13H2,1H3,(H,24,26)