(4-acetyloxy-3-hexoxy-7-pyridin-4-ylsulfanyl-naphthalen-1-yl) ethanoate

Systemtic Name: (4-acetyloxy-3-hexoxy-7-pyridin-4-ylsulfanyl-naphthalen-1-yl) ethanoate Openeye Name: [4-acetoxy-3-hexoxy-7-(4-pyridylsulfanyl)-1-naphthyl] acetate CAS Name: acetic acid [4-acetyloxy-3-hexoxy-7-(pyridin-4-ylthio)-1-naphthalenyl] ester IUPAC Name: (4-acetyloxy-3-hexoxy-7-pyridin-4-ylsulfanylnaphthalen-1-yl) acetate Traditional Name: acetic acid [4-acetoxy-3-hexoxy-7-(4-pyridylthio)-1-naphthyl] ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C2=C(C=C(C=C2)SC3=CC=NC=C3)C(=C1)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCOC1=C(C2=C(C=C(C=C2)SC3=CC=NC=C3)C(=C1)OC(=O)C)OC(=O)C

InChI

InChI=1S/C25H27NO5S/c1-4-5-6-7-14-29-24-16-23(30-17(2)27)22-15-20(32-19-10-12-26-13-11-19)8-9-21(22)25(24)31-18(3)28/h8-13,15-16H,4-7,14H2,1-3H3