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

Systemtic Name: ethyl 2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-isopropylsulfonylphenyl)acetyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(4-propan-2-ylsulfonylphenyl)ethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-isopropylsulfonylphenyl)acetyl]amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C22H23NO5S2 MolecularWeight: 445.55172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C22H23NO5S2/c1-4-28-22(25)20-17-7-5-6-8-18(17)29-21(20)23-19(24)13-15-9-11-16(12-10-15)30(26,27)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,23,24)