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

Systemtic Name: ethyl 5-phenyl-3-[3-(phenylmethyl)sulfonylpropanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-(3-benzylsulfonylpropanoylamino)-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-benzylsulfonylpropanoylamino)-5-phenylthiophene-2-carboxylate Traditional Name: 3-(3-benzylsulfonylpropanoylamino)-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)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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