3-[3-(1H-indol-5-yl)-4-(2-phenylsulfanylethoxy)phenyl]propanoic acid

Systemtic Name: 3-[3-(1H-indol-5-yl)-4-(2-phenylsulfanylethoxy)phenyl]propanoic acid Openeye Name: 3-[3-(1H-indol-5-yl)-4-(2-phenylsulfanylethoxy)phenyl]propanoic acid CAS Name: 3-[3-(1H-indol-5-yl)-4-[2-(phenylthio)ethoxy]phenyl]propanoic acid IUPAC Name: 3-[3-(1H-indol-5-yl)-4-(2-phenylsulfanylethoxy)phenyl]propanoic acid Traditional Name: 3-[3-(1H-indol-5-yl)-4-[2-(phenylthio)ethoxy]phenyl]propionic acid Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCOC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)NC=C4

Isomeric SMILES

C1=CC=C(C=C1)SCCOC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)NC=C4

InChI

InChI=1S/C25H23NO3S/c27-25(28)11-7-18-6-10-24(29-14-15-30-21-4-2-1-3-5-21)22(16-18)19-8-9-23-20(17-19)12-13-26-23/h1-6,8-10,12-13,16-17,26H,7,11,14-15H2,(H,27,28)