[8-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-4-pentoxy-naphthalen-1-yl] ethanoate

Systemtic Name: [8-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-4-pentoxy-naphthalen-1-yl] ethanoate Openeye Name: [8-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-4-pentoxy-1-naphthyl] acetate CAS Name: acetic acid [8-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-4-pentoxy-1-naphthalenyl] ester IUPAC Name: [8-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-4-pentoxynaphthalen-1-yl] acetate Traditional Name: acetic acid [4-amoxy-8-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-1-naphthyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C2=C1C=CC=C2S(=O)C3=NC=CN3)OC(=O)C)OC)OC

Isomeric SMILES

CCCCCOC1=C(C(=C(C2=C1C=CC=C2S(=O)C3=NC=CN3)OC(=O)C)OC)OC

InChI

InChI=1S/C22H26N2O6S/c1-5-6-7-13-29-18-15-9-8-10-16(31(26)22-23-11-12-24-22)17(15)19(30-14(2)25)21(28-4)20(18)27-3/h8-12H,5-7,13H2,1-4H3,(H,23,24)