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

Systemtic Name: [8-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-4-oxidanyl-naphthalen-1-yl] ethanoate Openeye Name: [4-hydroxy-8-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-1-naphthyl] acetate CAS Name: acetic acid [4-hydroxy-8-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-1-naphthalenyl] ester IUPAC Name: [4-hydroxy-8-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxynaphthalen-1-yl] acetate Traditional Name: acetic acid [4-hydroxy-8-(1H-imidazol-2-ylsulfinyl)-2,3-dimethoxy-1-naphthyl] ester Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C(C2=C1C(=CC=C2)S(=O)C3=NC=CN3)O)OC)OC

Isomeric SMILES

CC(=O)OC1=C(C(=C(C2=C1C(=CC=C2)S(=O)C3=NC=CN3)O)OC)OC

InChI

InChI=1S/C17H16N2O6S/c1-9(20)25-14-12-10(13(21)15(23-2)16(14)24-3)5-4-6-11(12)26(22)17-18-7-8-19-17/h4-8,21H,1-3H3,(H,18,19)