2-[[5-methyl-2-[3-(methylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxy-phenyl]methyl-phenyl-carbamoyl]sulfanylbenzoic acid

Systemtic Name: 2-[[5-methyl-2-[3-(methylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxy-phenyl]methyl-phenyl-carbamoyl]sulfanylbenzoic acid Openeye Name: 2-[[2-[[4-hydroxy-3-(methylcarbamoyl)-1-naphthyl]oxy]-5-methyl-phenyl]methyl-phenyl-carbamoyl]sulfanylbenzoic acid CAS Name: 2-[[[N-[[2-[[4-hydroxy-3-(methylcarbamoyl)-1-naphthalenyl]oxy]-5-methylphenyl]methyl]anilino]-oxomethyl]thio]benzoic acid IUPAC Name: 2-[[2-[4-hydroxy-3-(methylcarbamoyl)naphthalen-1-yl]oxy-5-methylphenyl]methyl-phenylcarbamoyl]sulfanylbenzoic acid Traditional Name: 2-[[[2-[4-hydroxy-3-(methylcarbamoyl)-1-naphthoxy]-5-methyl-benzyl]-phenyl-carbamoyl]thio]benzoic acid Formula: C34H28N2O6S MolecularWeight: 592.66092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=CC(=C(C3=CC=CC=C32)O)C(=O)NC)CN(C4=CC=CC=C4)C(=O)SC5=CC=CC=C5C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=CC(=C(C3=CC=CC=C32)O)C(=O)NC)CN(C4=CC=CC=C4)C(=O)SC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C34H28N2O6S/c1-21-16-17-28(42-29-19-27(32(38)35-2)31(37)25-13-7-6-12-24(25)29)22(18-21)20-36(23-10-4-3-5-11-23)34(41)43-30-15-9-8-14-26(30)33(39)40/h3-19,37H,20H2,1-2H3,(H,35,38)(H,39,40)