methyl 3-[2-(4-propan-2-ylsulfonylphenyl)ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(4-propan-2-ylsulfonylphenyl)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-isopropylsulfonylphenyl)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-(4-propan-2-ylsulfonylphenyl)ethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-(4-isopropylsulfonylphenyl)acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H21NO5S2 MolecularWeight: 431.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=C(SC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=C(SC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C21H21NO5S2/c1-13(2)29(25,26)15-10-8-14(9-11-15)12-18(23)22-19-16-6-4-5-7-17(16)28-20(19)21(24)27-3/h4-11,13H,12H2,1-3H3,(H,22,23)