2-ethoxy-2-[4-[2-[4-[(2-methylsulfanylphenyl)carbamothioylamino]phenyl]ethoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-2-[4-[2-[4-[(2-methylsulfanylphenyl)carbamothioylamino]phenyl]ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-2-[4-[2-[4-[(2-methylsulfanylphenyl)carbamothioylamino]phenyl]ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-2-[4-[2-[4-[[[2-(methylthio)anilino]-sulfanylidenemethyl]amino]phenyl]ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-2-[4-[2-[4-[(2-methylsulfanylphenyl)carbamothioylamino]phenyl]ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-2-[4-[2-[4-[[2-(methylthio)phenyl]thiocarbamoylamino]phenyl]ethoxy]phenyl]propionic acid Formula: C27H30N2O4S2 MolecularWeight: 510.6681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(C1=CC=C(C=C1)OCCC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3SC)C(=O)O

Isomeric SMILES

CCOC(C)(C1=CC=C(C=C1)OCCC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3SC)C(=O)O

InChI

InChI=1S/C27H30N2O4S2/c1-4-33-27(2,25(30)31)20-11-15-22(16-12-20)32-18-17-19-9-13-21(14-10-19)28-26(34)29-23-7-5-6-8-24(23)35-3/h5-16H,4,17-18H2,1-3H3,(H,30,31)(H2,28,29,34)