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

Systemtic Name: ethyl 5-phenyl-3-[3-(phenylsulfonyl)propanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-[3-(benzenesulfonyl)propanoylamino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(benzenesulfonyl)propanoylamino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-(3-besylpropanoylamino)-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5S2/c1-2-28-22(25)21-18(15-19(29-21)16-9-5-3-6-10-16)23-20(24)13-14-30(26,27)17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,23,24)