N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(5-bromanyl-1-benzofuran-3-yl)-N-(phenylmethyl)ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(5-bromanyl-1-benzofuran-3-yl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(5-bromobenzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide CAS Name: 2-(5-bromo-3-benzofuranyl)-N-(1,1-dioxo-3-thiolanyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(5-bromo-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide Traditional Name: N-benzyl-2-(5-bromobenzofuran-3-yl)-N-(1,1-diketothiolan-3-yl)acetamide Formula: C21H20BrNO4S MolecularWeight: 462.3568

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(CC2=CC=CC=C2)C(=O)CC3=COC4=C3C=C(C=C4)Br

Isomeric SMILES

C1CS(=O)(=O)CC1N(CC2=CC=CC=C2)C(=O)CC3=COC4=C3C=C(C=C4)Br

InChI

InChI=1S/C21H20BrNO4S/c22-17-6-7-20-19(11-17)16(13-27-20)10-21(24)23(12-15-4-2-1-3-5-15)18-8-9-28(25,26)14-18/h1-7,11,13,18H,8-10,12,14H2