ethyl 5-phenyl-3-[4-(phenylmethyl)sulfonylbutanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-phenyl-3-[4-(phenylmethyl)sulfonylbutanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-(4-benzylsulfonylbutanoylamino)-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[1-oxo-4-(phenylmethyl)sulfonylbutyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-benzylsulfonylbutanoylamino)-5-phenylthiophene-2-carboxylate Traditional Name: 3-(4-benzylsulfonylbutanoylamino)-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C24H25NO5S2 MolecularWeight: 471.589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H25NO5S2/c1-2-30-24(27)23-20(16-21(31-23)19-12-7-4-8-13-19)25-22(26)14-9-15-32(28,29)17-18-10-5-3-6-11-18/h3-8,10-13,16H,2,9,14-15,17H2,1H3,(H,25,26)