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

Systemtic Name: ethyl 5-ethyl-2-[2-(3-pyrrolidin-1-ylsulfonylphenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(3-pyrrolidin-1-ylsulfonylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methoxy]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(3-pyrrolidin-1-ylsulfonylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(3-pyrrolidinosulfonylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O7S2 MolecularWeight: 494.58104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7S2/c1-3-16-13-18(22(27)30-4-2)20(32-16)23-19(25)14-31-21(26)15-8-7-9-17(12-15)33(28,29)24-10-5-6-11-24/h7-9,12-13H,3-6,10-11,14H2,1-2H3,(H,23,25)