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

Systemtic Name: 2-[3-ethanoyl-2-(naphthalen-2-ylsulfanylmethyl)-5-phenylmethoxy-indol-1-yl]ethanoic acid Openeye Name: 2-[3-acetyl-5-benzyloxy-2-(2-naphthylsulfanylmethyl)indol-1-yl]acetic acid CAS Name: 2-[3-acetyl-2-[(2-naphthalenylthio)methyl]-5-phenylmethoxy-1-indolyl]acetic acid IUPAC Name: 2-[3-acetyl-2-(naphthalen-2-ylsulfanylmethyl)-5-phenylmethoxyindol-1-yl]acetic acid Traditional Name: 2-[3-acetyl-5-benzoxy-2-[(2-naphthylthio)methyl]indol-1-yl]acetic acid Formula: C30H25NO4S MolecularWeight: 495.5888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC(=O)O)CSC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(=O)C1=C(N(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC(=O)O)CSC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H25NO4S/c1-20(32)30-26-16-24(35-18-21-7-3-2-4-8-21)12-14-27(26)31(17-29(33)34)28(30)19-36-25-13-11-22-9-5-6-10-23(22)15-25/h2-16H,17-19H2,1H3,(H,33,34)