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

Systemtic Name: 2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(3-isopropyl-1H-indol-5-yl)oxy]-3,5-dimethyl-phenyl]sulfanylacetic acid CAS Name: 2-[[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]thio]acetic acid IUPAC Name: 2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(3-isopropyl-1H-indol-5-yl)oxy]-3,5-dimethyl-phenyl]thio]acetic acid Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3S/c1-12(2)18-10-22-19-6-5-15(9-17(18)19)25-21-13(3)7-16(8-14(21)4)26-11-20(23)24/h5-10,12,22H,11H2,1-4H3,(H,23,24)