2-[2-[3-methyl-8-(3-methylbutanoylamino)-4-oxidanyl-naphthalen-1-yl]oxyethylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-[3-methyl-8-(3-methylbutanoylamino)-4-oxidanyl-naphthalen-1-yl]oxyethylsulfanyl]ethanoic acid Openeye Name: 2-[2-[[4-hydroxy-3-methyl-8-(3-methylbutanoylamino)-1-naphthyl]oxy]ethylsulfanyl]acetic acid CAS Name: 2-[2-[[4-hydroxy-3-methyl-8-[(3-methyl-1-oxobutyl)amino]-1-naphthalenyl]oxy]ethylthio]acetic acid IUPAC Name: 2-[2-[4-hydroxy-3-methyl-8-(3-methylbutanoylamino)naphthalen-1-yl]oxyethylsulfanyl]acetic acid Traditional Name: 2-[2-[4-hydroxy-8-(isovalerylamino)-3-methyl-1-naphthoxy]ethylthio]acetic acid Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1O)C=CC=C2NC(=O)CC(C)C)OCCSCC(=O)O

Isomeric SMILES

CC1=CC(=C2C(=C1O)C=CC=C2NC(=O)CC(C)C)OCCSCC(=O)O

InChI

InChI=1S/C20H25NO5S/c1-12(2)9-17(22)21-15-6-4-5-14-19(15)16(10-13(3)20(14)25)26-7-8-27-11-18(23)24/h4-6,10,12,25H,7-9,11H2,1-3H3,(H,21,22)(H,23,24)