ethyl 2-[[3-bromanyl-4-(oxolan-2-ylmethoxy)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-bromanyl-4-(oxolan-2-ylmethoxy)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[3-bromo-4-(tetrahydrofuran-2-ylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[3-bromo-4-(2-oxolanylmethoxy)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-bromo-4-(oxolan-2-ylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-bromo-4-(tetrahydrofurfuryloxy)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H26BrNO5S MolecularWeight: 508.42524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C=C3)OCC4CCCO4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C=C3)OCC4CCCO4)Br

InChI

InChI=1S/C23H26BrNO5S/c1-2-28-23(27)20-16-7-3-4-8-19(16)31-22(20)25-21(26)14-9-10-18(17(24)12-14)30-13-15-6-5-11-29-15/h9-10,12,15H,2-8,11,13H2,1H3,(H,25,26)