ethyl 4-phenyl-2-[2-(3-pyrrolidin-1-ylsulfonylphenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-phenyl-2-[2-(3-pyrrolidin-1-ylsulfonylphenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[[2-(3-pyrrolidin-1-ylsulfonylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methoxy]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[[2-(3-pyrrolidin-1-ylsulfonylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[[2-(3-pyrrolidinosulfonylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H26N2O7S2 MolecularWeight: 542.62384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C26H26N2O7S2/c1-2-34-26(31)23-21(18-9-4-3-5-10-18)17-36-24(23)27-22(29)16-35-25(30)19-11-8-12-20(15-19)37(32,33)28-13-6-7-14-28/h3-5,8-12,15,17H,2,6-7,13-14,16H2,1H3,(H,27,29)