methyl 6-methyl-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-isopropylsulfonylphenyl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-(4-propan-2-ylsulfonylphenyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-isopropylsulfonylphenyl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H27NO5S2 MolecularWeight: 449.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C(C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C22H27NO5S2/c1-13(2)30(26,27)16-8-6-15(7-9-16)12-19(24)23-21-20(22(25)28-4)17-10-5-14(3)11-18(17)29-21/h6-9,13-14H,5,10-12H2,1-4H3,(H,23,24)