3-[3-[(2-methylphenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]oxycarbonylsulfanylpropanoic acid

Systemtic Name: 3-[3-[(2-methylphenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]oxycarbonylsulfanylpropanoic acid Openeye Name: 3-[[4-hydroxy-3-(o-tolylcarbamoyl)-1-naphthyl]oxycarbonylsulfanyl]propanoic acid CAS Name: 3-[[[4-hydroxy-3-[(2-methylanilino)-oxomethyl]-1-naphthalenyl]oxy-oxomethyl]thio]propanoic acid IUPAC Name: 3-[4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]oxycarbonylsulfanylpropanoic acid Traditional Name: 3-[[4-hydroxy-3-(o-tolylcarbamoyl)-1-naphthoxy]carbonylthio]propionic acid Formula: C22H19NO6S MolecularWeight: 425.45436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C(=C2)OC(=O)SCCC(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C(=C2)OC(=O)SCCC(=O)O)O

InChI

InChI=1S/C22H19NO6S/c1-13-6-2-5-9-17(13)23-21(27)16-12-18(29-22(28)30-11-10-19(24)25)14-7-3-4-8-15(14)20(16)26/h2-9,12,26H,10-11H2,1H3,(H,23,27)(H,24,25)