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

Systemtic Name: ethyl (6R)-6-methyl-2-[2-(4-methylphenyl)sulfonylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-6-methyl-2-[[2-(p-tolylsulfonyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-methyl-2-[[2-(4-methylphenyl)sulfonyl-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-methyl-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-methyl-2-[(2-tosylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25NO5S2/c1-4-27-21(24)19-16-10-7-14(3)11-17(16)28-20(19)22-18(23)12-29(25,26)15-8-5-13(2)6-9-15/h5-6,8-9,14H,4,7,10-12H2,1-3H3,(H,22,23)/t14-/m1/s1