2-[2-[2-(4-methylsulfanylphenyl)sulfanylphenoxy]ethyl-propan-2-yl-amino]ethanoic acid

Systemtic Name: 2-[2-[2-(4-methylsulfanylphenyl)sulfanylphenoxy]ethyl-propan-2-yl-amino]ethanoic acid Openeye Name: 2-[isopropyl-[2-[2-(4-methylsulfanylphenyl)sulfanylphenoxy]ethyl]amino]acetic acid CAS Name: 2-[2-[2-[[4-(methylthio)phenyl]thio]phenoxy]ethyl-propan-2-ylamino]acetic acid IUPAC Name: 2-[2-[2-(4-methylsulfanylphenyl)sulfanylphenoxy]ethyl-propan-2-ylamino]acetic acid Traditional Name: 2-[isopropyl-[2-[2-[[4-(methylthio)phenyl]thio]phenoxy]ethyl]amino]acetic acid Formula: C20H25NO3S2 MolecularWeight: 391.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCOC1=CC=CC=C1SC2=CC=C(C=C2)SC)CC(=O)O

Isomeric SMILES

CC(C)N(CCOC1=CC=CC=C1SC2=CC=C(C=C2)SC)CC(=O)O

InChI

InChI=1S/C20H25NO3S2/c1-15(2)21(14-20(22)23)12-13-24-18-6-4-5-7-19(18)26-17-10-8-16(25-3)9-11-17/h4-11,15H,12-14H2,1-3H3,(H,22,23)