3-[[3-methyl-4-[3-(methylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxy-phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[3-methyl-4-[3-(methylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxy-phenyl]methylsulfanyl]propanoic acid Openeye Name: 3-[[4-[[4-hydroxy-3-(methylcarbamoyl)-1-naphthyl]oxy]-3-methyl-phenyl]methylsulfanyl]propanoic acid CAS Name: 3-[[4-[[4-hydroxy-3-(methylcarbamoyl)-1-naphthalenyl]oxy]-3-methylphenyl]methylthio]propanoic acid IUPAC Name: 3-[[4-[4-hydroxy-3-(methylcarbamoyl)naphthalen-1-yl]oxy-3-methylphenyl]methylsulfanyl]propanoic acid Traditional Name: 3-[[4-[4-hydroxy-3-(methylcarbamoyl)-1-naphthoxy]-3-methyl-benzyl]thio]propionic acid Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSCCC(=O)O)OC2=CC(=C(C3=CC=CC=C32)O)C(=O)NC

Isomeric SMILES

CC1=C(C=CC(=C1)CSCCC(=O)O)OC2=CC(=C(C3=CC=CC=C32)O)C(=O)NC

InChI

InChI=1S/C23H23NO5S/c1-14-11-15(13-30-10-9-21(25)26)7-8-19(14)29-20-12-18(23(28)24-2)22(27)17-6-4-3-5-16(17)20/h3-8,11-12,27H,9-10,13H2,1-2H3,(H,24,28)(H,25,26)