3-[[2-[1-methyl-2-(naphthalen-2-ylsulfanylmethyl)-5-phenylmethoxy-indol-3-yl]-2-oxidanylidene-ethanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-[1-methyl-2-(naphthalen-2-ylsulfanylmethyl)-5-phenylmethoxy-indol-3-yl]-2-oxidanylidene-ethanoyl]amino]benzoic acid Openeye Name: 3-[[2-[5-benzyloxy-1-methyl-2-(2-naphthylsulfanylmethyl)indol-3-yl]-2-oxo-acetyl]amino]benzoic acid CAS Name: 3-[[2-[1-methyl-2-[(2-naphthalenylthio)methyl]-5-phenylmethoxy-3-indolyl]-1,2-dioxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[1-methyl-2-(naphthalen-2-ylsulfanylmethyl)-5-phenylmethoxyindol-3-yl]-2-oxoacetyl]amino]benzoic acid Traditional Name: 3-[[2-[5-benzoxy-1-methyl-2-[(2-naphthylthio)methyl]indol-3-yl]-2-keto-acetyl]amino]benzoic acid Formula: C36H28N2O5S MolecularWeight: 600.68292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(=C1CSC4=CC5=CC=CC=C5C=C4)C(=O)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(=C1CSC4=CC5=CC=CC=C5C=C4)C(=O)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C36H28N2O5S/c1-38-31-17-15-28(43-21-23-8-3-2-4-9-23)20-30(31)33(34(39)35(40)37-27-13-7-12-26(18-27)36(41)42)32(38)22-44-29-16-14-24-10-5-6-11-25(24)19-29/h2-20H,21-22H2,1H3,(H,37,40)(H,41,42)