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

Systemtic Name: 2-[[3-bromanyl-4-(oxolan-2-ylmethoxy)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[3-bromo-4-(tetrahydrofuran-2-ylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[3-bromo-4-(2-oxolanylmethoxy)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[3-bromo-4-(oxolan-2-ylmethoxy)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[3-bromo-4-(tetrahydrofurfuryloxy)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)OCC4CCCO4)Br)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)OCC4CCCO4)Br)C(=O)N

InChI

InChI=1S/C21H23BrN2O4S/c22-15-10-12(7-8-16(15)28-11-13-4-3-9-27-13)20(26)24-21-18(19(23)25)14-5-1-2-6-17(14)29-21/h7-8,10,13H,1-6,9,11H2,(H2,23,25)(H,24,26)