ethyl 2-[2-(5-iodanyl-2-oxidanyl-phenyl)carbonyloxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(5-iodanyl-2-oxidanyl-phenyl)carbonyloxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-hydroxy-5-iodo-benzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(2-hydroxy-5-iodophenyl)-oxomethoxy]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-hydroxy-5-iodobenzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-hydroxy-5-iodo-benzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H20INO6S MolecularWeight: 529.34537

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C3=C(C=CC(=C3)I)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C3=C(C=CC(=C3)I)O

InChI

InChI=1S/C20H20INO6S/c1-2-27-20(26)17-12-5-3-4-6-15(12)29-18(17)22-16(24)10-28-19(25)13-9-11(21)7-8-14(13)23/h7-9,23H,2-6,10H2,1H3,(H,22,24)