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

Systemtic Name: methyl 5-phenyl-3-[4-(phenylmethyl)sulfonylbutanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-(4-benzylsulfonylbutanoylamino)-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[1-oxo-4-(phenylmethyl)sulfonylbutyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-benzylsulfonylbutanoylamino)-5-phenylthiophene-2-carboxylate Traditional Name: 3-(4-benzylsulfonylbutanoylamino)-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C23H23NO5S2 MolecularWeight: 457.56242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO5S2/c1-29-23(26)22-19(15-20(30-22)18-11-6-3-7-12-18)24-21(25)13-8-14-31(27,28)16-17-9-4-2-5-10-17/h2-7,9-12,15H,8,13-14,16H2,1H3,(H,24,25)