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

Systemtic Name: ethyl 2-[2-(3-methylsulfonylphenyl)carbonyloxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-methylsulfonylbenzoyl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-methylsulfonylphenyl)-oxomethoxy]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-methylsulfonylbenzoyl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(3-mesylbenzoyl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H25NO7S2 MolecularWeight: 479.5664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO7S2/c1-4-29-22(26)18-16-10-5-6-11-17(16)31-20(18)23-19(24)13(2)30-21(25)14-8-7-9-15(12-14)32(3,27)28/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,23,24)