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

Systemtic Name: methyl 5-phenyl-3-[3-(phenylmethyl)sulfonylpropanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-(3-benzylsulfonylpropanoylamino)-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-benzylsulfonylpropanoylamino)-5-phenylthiophene-2-carboxylate Traditional Name: 3-(3-benzylsulfonylpropanoylamino)-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5S2/c1-28-22(25)21-18(14-19(29-21)17-10-6-3-7-11-17)23-20(24)12-13-30(26,27)15-16-8-4-2-5-9-16/h2-11,14H,12-13,15H2,1H3,(H,23,24)