2-[[5-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoic acid

Systemtic Name: 2-[[5-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoic acid Openeye Name: 2-[(4-methylsulfanylphenyl)methyl-[[5-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]-2-thienyl]methyl]amino]acetic acid CAS Name: 2-[[5-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-2-thiophenyl]methyl-[[4-(methylthio)phenyl]methyl]amino]acetic acid IUPAC Name: 2-[[5-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid Traditional Name: 2-[[4-(methylthio)benzyl]-[[5-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]-2-thienyl]methyl]amino]acetic acid Formula: C35H41NO3S2 MolecularWeight: 587.83494

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CC=C(S3)CN(CC4=CC=C(C=C4)SC)CC(=O)O

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CC=C(S3)CN(CC4=CC=C(C=C4)SC)CC(=O)O

InChI

InChI=1S/C35H41NO3S2/c1-4-6-28(7-5-2)29-14-16-31(17-15-29)39-25-27-8-12-30(13-9-27)34-21-20-33(41-34)23-36(24-35(37)38)22-26-10-18-32(40-3)19-11-26/h8-21,28H,4-7,22-25H2,1-3H3,(H,37,38)