(4-acetyloxy-2,3-dipentoxy-6-pyridin-2-ylsulfanyl-naphthalen-1-yl) ethanoate

Systemtic Name: (4-acetyloxy-2,3-dipentoxy-6-pyridin-2-ylsulfanyl-naphthalen-1-yl) ethanoate Openeye Name: [4-acetoxy-2,3-dipentoxy-6-(2-pyridylsulfanyl)-1-naphthyl] acetate CAS Name: acetic acid [4-acetyloxy-2,3-dipentoxy-6-(2-pyridinylthio)-1-naphthalenyl] ester IUPAC Name: (4-acetyloxy-2,3-dipentoxy-6-pyridin-2-ylsulfanylnaphthalen-1-yl) acetate Traditional Name: acetic acid [4-acetoxy-2,3-diamoxy-6-(2-pyridylthio)-1-naphthyl] ester Formula: C29H35NO6S MolecularWeight: 525.6563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C2=C(C=C(C=C2)SC3=CC=CC=N3)C(=C1OCCCCC)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCOC1=C(C2=C(C=C(C=C2)SC3=CC=CC=N3)C(=C1OCCCCC)OC(=O)C)OC(=O)C

InChI

InChI=1S/C29H35NO6S/c1-5-7-11-17-33-28-26(35-20(3)31)23-15-14-22(37-25-13-9-10-16-30-25)19-24(23)27(36-21(4)32)29(28)34-18-12-8-6-2/h9-10,13-16,19H,5-8,11-12,17-18H2,1-4H3