(6-bromanylnaphthalen-2-yl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (6-bromanylnaphthalen-2-yl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (6-bromo-2-naphthyl) 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (6-bromo-2-naphthalenyl) ester IUPAC Name: (6-bromonaphthalen-2-yl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (6-bromo-2-naphthyl) ester Formula: C26H23BrO3S MolecularWeight: 495.42802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC5=C(C=C4)C=C(C=C5)Br

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC5=C(C=C4)C=C(C=C5)Br

InChI

InChI=1S/C26H23BrO3S/c27-19-12-10-18-15-20(13-11-17(18)14-19)29-26(28)25-23(16-31-21-6-2-1-3-7-21)22-8-4-5-9-24(22)30-25/h4-5,8-15,21H,1-3,6-7,16H2