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

Systemtic Name: ethyl 5-phenyl-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyloxypropanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)oxypropanoylamino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methoxy]propyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)oxypropanoylamino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[2-(4-pyrrolidinosulfonylbenzoyl)oxypropanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C27H28N2O7S2 MolecularWeight: 556.65042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O7S2/c1-3-35-27(32)22-17-23(19-9-5-4-6-10-19)37-25(22)28-24(30)18(2)36-26(31)20-11-13-21(14-12-20)38(33,34)29-15-7-8-16-29/h4-6,9-14,17-18H,3,7-8,15-16H2,1-2H3,(H,28,30)