4-[[3-ethanoyl-2-(naphthalen-2-ylsulfanylmethyl)-5-phenylmethoxy-indol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[3-ethanoyl-2-(naphthalen-2-ylsulfanylmethyl)-5-phenylmethoxy-indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-acetyl-5-benzyloxy-2-(2-naphthylsulfanylmethyl)indol-1-yl]methyl]benzoic acid CAS Name: 4-[[3-acetyl-2-[(2-naphthalenylthio)methyl]-5-phenylmethoxy-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[3-acetyl-2-(naphthalen-2-ylsulfanylmethyl)-5-phenylmethoxyindol-1-yl]methyl]benzoic acid Traditional Name: 4-[[3-acetyl-5-benzoxy-2-[(2-naphthylthio)methyl]indol-1-yl]methyl]benzoic acid Formula: C36H29NO4S MolecularWeight: 571.68476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O)CSC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

CC(=O)C1=C(N(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O)CSC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C36H29NO4S/c1-24(38)35-32-20-30(41-22-26-7-3-2-4-8-26)16-18-33(32)37(21-25-11-13-28(14-12-25)36(39)40)34(35)23-42-31-17-15-27-9-5-6-10-29(27)19-31/h2-20H,21-23H2,1H3,(H,39,40)