[5-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-4-pentoxy-naphthalen-1-yl] ethanoate

Systemtic Name: [5-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-4-pentoxy-naphthalen-1-yl] ethanoate Openeye Name: [5-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-4-pentoxy-1-naphthyl] acetate CAS Name: acetic acid [5-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-4-pentoxy-1-naphthalenyl] ester IUPAC Name: [5-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-4-pentoxynaphthalen-1-yl] acetate Traditional Name: acetic acid [4-amoxy-5-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-1-naphthyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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