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

Systemtic Name: ethyl 2-[2-(2-methyl-5-methylsulfonyl-phenyl)carbonyloxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(2-methyl-5-methylsulfonyl-benzoyl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(2-methyl-5-methylsulfonylphenyl)-oxomethoxy]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-methyl-5-methylsulfonylbenzoyl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(5-mesyl-2-methyl-benzoyl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H27NO7S2 MolecularWeight: 493.59298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C

InChI

InChI=1S/C23H27NO7S2/c1-5-30-23(27)19-16-8-6-7-9-18(16)32-21(19)24-20(25)14(3)31-22(26)17-12-15(33(4,28)29)11-10-13(17)2/h10-12,14H,5-9H2,1-4H3,(H,24,25)