2-[2-(5-bromanyl-1-benzofuran-3-yl)ethanoylamino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(5-bromanyl-1-benzofuran-3-yl)ethanoylamino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(5-bromobenzofuran-3-yl)acetyl]amino]-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(5-bromo-3-benzofuranyl)-1-oxoethyl]amino]-N-(2-oxolanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(5-bromo-1-benzofuran-3-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(5-bromobenzofuran-3-yl)acetyl]amino]-N-(tetrahydrofurfuryl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C24H25BrN2O4S MolecularWeight: 517.4353

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CC3=COC4=C3C=C(C=C4)Br)C(=O)NCC5CCCO5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CC3=COC4=C3C=C(C=C4)Br)C(=O)NCC5CCCO5

InChI

InChI=1S/C24H25BrN2O4S/c25-15-7-8-19-18(11-15)14(13-31-19)10-21(28)27-24-22(17-5-1-2-6-20(17)32-24)23(29)26-12-16-4-3-9-30-16/h7-8,11,13,16H,1-6,9-10,12H2,(H,26,29)(H,27,28)