ethyl 2-[2-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonyloxyethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonyloxyethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)oxyacetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethoxy]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)oxyacetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-(4-chloro-3-pyrrolidinosulfonyl-benzoyl)oxyacetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H25ClN2O8S2 MolecularWeight: 557.0362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C23H25ClN2O8S2/c1-4-33-23(30)19-13(2)20(14(3)27)35-21(19)25-18(28)12-34-22(29)15-7-8-16(24)17(11-15)36(31,32)26-9-5-6-10-26/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,25,28)