4-(3-methoxy-4-methylsulfanyl-phenoxy)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid

Systemtic Name: 4-(3-methoxy-4-methylsulfanyl-phenoxy)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid Openeye Name: 3-[[tert-butoxycarbonyl(methyl)amino]methyl]-4-(3-methoxy-4-methylsulfanyl-phenoxy)benzoic acid CAS Name: 4-[3-methoxy-4-(methylthio)phenoxy]-3-[[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-(3-methoxy-4-methylsulfanylphenoxy)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid Traditional Name: 3-[[tert-butoxycarbonyl(methyl)amino]methyl]-4-[3-methoxy-4-(methylthio)phenoxy]benzoic acid Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CC1=C(C=CC(=C1)C(=O)O)OC2=CC(=C(C=C2)SC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CC1=C(C=CC(=C1)C(=O)O)OC2=CC(=C(C=C2)SC)OC

InChI

InChI=1S/C22H27NO6S/c1-22(2,3)29-21(26)23(4)13-15-11-14(20(24)25)7-9-17(15)28-16-8-10-19(30-6)18(12-16)27-5/h7-12H,13H2,1-6H3,(H,24,25)