ethyl 5-ethyl-2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[3-(4-pyrrolidinosulfonylphenyl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OCC

InChI

InChI=1S/C22H28N2O5S2/c1-3-17-15-19(22(26)29-4-2)21(30-17)23-20(25)12-9-16-7-10-18(11-8-16)31(27,28)24-13-5-6-14-24/h7-8,10-11,15H,3-6,9,12-14H2,1-2H3,(H,23,25)