methyl 3-[[3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[3-(benzylsulfanylmethyl)benzofuran-2-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[3-[(phenylmethylthio)methyl]-2-benzofuranyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(benzylsulfanylmethyl)-1-benzofuran-2-carbonyl]amino]benzoate Traditional Name: 3-[[3-[(benzylthio)methyl]benzofuran-2-carbonyl]amino]benzoic acid methyl ester Formula: C25H21NO4S MolecularWeight: 431.50354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

InChI

InChI=1S/C25H21NO4S/c1-29-25(28)18-10-7-11-19(14-18)26-24(27)23-21(20-12-5-6-13-22(20)30-23)16-31-15-17-8-3-2-4-9-17/h2-14H,15-16H2,1H3,(H,26,27)