2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]ethanoic acid

Systemtic Name: 2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]ethanoic acid Openeye Name: 2-[4-[3-(4-pyridylsulfanyl)propoxy]indol-1-yl]acetic acid CAS Name: 2-[4-[3-(pyridin-4-ylthio)propoxy]-1-indolyl]acetic acid IUPAC Name: 2-[4-(3-pyridin-4-ylsulfanylpropoxy)indol-1-yl]acetic acid Traditional Name: 2-[4-[3-(4-pyridylthio)propoxy]indol-1-yl]acetic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2CC(=O)O)C(=C1)OCCCSC3=CC=NC=C3

Isomeric SMILES

C1=CC2=C(C=CN2CC(=O)O)C(=C1)OCCCSC3=CC=NC=C3

InChI

InChI=1S/C18H18N2O3S/c21-18(22)13-20-10-7-15-16(20)3-1-4-17(15)23-11-2-12-24-14-5-8-19-9-6-14/h1,3-10H,2,11-13H2,(H,21,22)