4-tert-butyl-3-[3-(2-methoxy-4-methylsulfanyl-phenyl)octanoylamino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[3-(2-methoxy-4-methylsulfanyl-phenyl)octanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-(2-methoxy-4-methylsulfanyl-phenyl)octanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-[2-methoxy-4-(methylthio)phenyl]-1-oxooctyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-(2-methoxy-4-methylsulfanylphenyl)octanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-[2-methoxy-4-(methylthio)phenyl]octanoylamino]benzoic acid Formula: C27H37NO4S MolecularWeight: 471.65198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=C(C=C(C=C2)SC)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=C(C=C(C=C2)SC)OC

InChI

InChI=1S/C27H37NO4S/c1-7-8-9-10-18(21-13-12-20(33-6)17-24(21)32-5)16-25(29)28-23-15-19(26(30)31)11-14-22(23)27(2,3)4/h11-15,17-18H,7-10,16H2,1-6H3,(H,28,29)(H,30,31)