ethyl 5-[2-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyloxy]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyloxy]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[3-(cyclohexylsulfanylmethyl)benzofuran-2-carbonyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[3-[(cyclohexylthio)methyl]-2-benzofuranyl]-oxomethoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carbonyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[3-[(cyclohexylthio)methyl]benzofuran-2-carbonyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4)C

InChI

InChI=1S/C27H31NO6S/c1-4-32-26(30)23-16(2)24(28-17(23)3)21(29)14-33-27(31)25-20(15-35-18-10-6-5-7-11-18)19-12-8-9-13-22(19)34-25/h8-9,12-13,18,28H,4-7,10-11,14-15H2,1-3H3