methyl 6-methyl-2-[2-(2-methyl-5-methylsulfonyl-phenyl)carbonyloxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[2-(2-methyl-5-methylsulfonyl-phenyl)carbonyloxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[[2-(2-methyl-5-methylsulfonyl-benzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[2-[(2-methyl-5-methylsulfonylphenyl)-oxomethoxy]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[[2-(2-methyl-5-methylsulfonylbenzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(5-mesyl-2-methyl-benzoyl)oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H25NO7S2 MolecularWeight: 479.5664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO7S2/c1-12-5-8-15-17(9-12)31-20(19(15)22(26)29-3)23-18(24)11-30-21(25)16-10-14(32(4,27)28)7-6-13(16)2/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,23,24)