methyl 6-methyl-2-[2-(4-methylphenyl)sulfonylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[2-(4-methylphenyl)sulfonylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[[2-(p-tolylsulfonyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[2-(4-methylphenyl)sulfonyl-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[(2-tosylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S2/c1-12-4-7-14(8-5-12)28(24,25)11-17(22)21-19-18(20(23)26-3)15-9-6-13(2)10-16(15)27-19/h4-5,7-8,13H,6,9-11H2,1-3H3,(H,21,22)