2-[3-bromanyl-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[3-bromanyl-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]sulfanylethanoic acid Openeye Name: 2-[3-bromo-4-[(3-isopropyl-1H-indol-5-yl)oxy]-5-methyl-phenyl]sulfanylacetic acid CAS Name: 2-[[3-bromo-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]thio]acetic acid IUPAC Name: 2-[3-bromo-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]sulfanylacetic acid Traditional Name: 2-[[3-bromo-4-[(3-isopropyl-1H-indol-5-yl)oxy]-5-methyl-phenyl]thio]acetic acid Formula: C20H20BrNO3S MolecularWeight: 434.3467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC3=C(C=C2)NC=C3C(C)C)Br)SCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC3=C(C=C2)NC=C3C(C)C)Br)SCC(=O)O

InChI

InChI=1S/C20H20BrNO3S/c1-11(2)16-9-22-18-5-4-13(7-15(16)18)25-20-12(3)6-14(8-17(20)21)26-10-19(23)24/h4-9,11,22H,10H2,1-3H3,(H,23,24)