methyl 5-phenyl-3-[2-(4-propan-2-ylsulfonylphenyl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-phenyl-3-[2-(4-propan-2-ylsulfonylphenyl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-isopropylsulfonylphenyl)acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-(4-propan-2-ylsulfonylphenyl)ethyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(4-isopropylsulfonylphenyl)acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C23H23NO5S2 MolecularWeight: 457.56242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H23NO5S2/c1-15(2)31(27,28)18-11-9-16(10-12-18)13-21(25)24-19-14-20(17-7-5-4-6-8-17)30-22(19)23(26)29-3/h4-12,14-15H,13H2,1-3H3,(H,24,25)