2-[(5-tert-butyl-1,3-thiazol-2-yl)methyl-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methyl]amino]ethanoic acid

Systemtic Name: 2-[(5-tert-butyl-1,3-thiazol-2-yl)methyl-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methyl]amino]ethanoic acid Openeye Name: 2-[(5-tert-butylthiazol-2-yl)methyl-[[4-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]-2-thienyl]methyl]amino]acetic acid CAS Name: 2-[(5-tert-butyl-2-thiazolyl)methyl-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-2-thiophenyl]methyl]amino]acetic acid IUPAC Name: 2-[(5-tert-butyl-1,3-thiazol-2-yl)methyl-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methyl]amino]acetic acid Traditional Name: 2-[(5-tert-butylthiazol-2-yl)methyl-[[4-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]-2-thienyl]methyl]amino]acetic acid Formula: C35H44N2O3S2 MolecularWeight: 604.86546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CSC(=C3)CN(CC4=NC=C(S4)C(C)(C)C)CC(=O)O

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CSC(=C3)CN(CC4=NC=C(S4)C(C)(C)C)CC(=O)O

InChI

InChI=1S/C35H44N2O3S2/c1-6-8-26(9-7-2)27-14-16-30(17-15-27)40-23-25-10-12-28(13-11-25)29-18-31(41-24-29)20-37(22-34(38)39)21-33-36-19-32(42-33)35(3,4)5/h10-19,24,26H,6-9,20-23H2,1-5H3,(H,38,39)