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

Systemtic Name: (4-acetyloxy-2,3-dihexoxy-6-pyridin-4-ylsulfanyl-naphthalen-1-yl) ethanoate Openeye Name: [4-acetoxy-2,3-dihexoxy-6-(4-pyridylsulfanyl)-1-naphthyl] acetate CAS Name: acetic acid [4-acetyloxy-2,3-dihexoxy-6-(pyridin-4-ylthio)-1-naphthalenyl] ester IUPAC Name: (4-acetyloxy-2,3-dihexoxy-6-pyridin-4-ylsulfanylnaphthalen-1-yl) acetate Traditional Name: acetic acid [4-acetoxy-2,3-dihexoxy-6-(4-pyridylthio)-1-naphthyl] ester Formula: C31H39NO6S MolecularWeight: 553.70946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C2=C(C=C(C=C2)SC3=CC=NC=C3)C(=C1OCCCCCC)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCOC1=C(C2=C(C=C(C=C2)SC3=CC=NC=C3)C(=C1OCCCCCC)OC(=O)C)OC(=O)C

InChI

InChI=1S/C31H39NO6S/c1-5-7-9-11-19-35-30-28(37-22(3)33)26-14-13-25(39-24-15-17-32-18-16-24)21-27(26)29(38-23(4)34)31(30)36-20-12-10-8-6-2/h13-18,21H,5-12,19-20H2,1-4H3