ethyl 5-phenyl-3-[4-(phenylsulfonyl)butanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-phenyl-3-[4-(phenylsulfonyl)butanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-[4-(benzenesulfonyl)butanoylamino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(benzenesulfonyl)butanoylamino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-(4-besylbutanoylamino)-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H23NO5S2 MolecularWeight: 457.56242

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO5S2/c1-2-29-23(26)22-19(16-20(30-22)17-10-5-3-6-11-17)24-21(25)14-9-15-31(27,28)18-12-7-4-8-13-18/h3-8,10-13,16H,2,9,14-15H2,1H3,(H,24,25)