methyl 2-[2-acetamidosulfanyl-6,7-bis(oxidanyl)naphthalen-1-yl]benzoate

Systemtic Name: methyl 2-[2-acetamidosulfanyl-6,7-bis(oxidanyl)naphthalen-1-yl]benzoate Openeye Name: methyl 2-(2-acetamidosulfanyl-6,7-dihydroxy-1-naphthyl)benzoate CAS Name: 2-[2-(acetamidothio)-6,7-dihydroxy-1-naphthalenyl]benzoic acid methyl ester IUPAC Name: methyl 2-(2-acetamidosulfanyl-6,7-dihydroxynaphthalen-1-yl)benzoate Traditional Name: 2-[2-(acetamidothio)-6,7-dihydroxy-1-naphthyl]benzoic acid methyl ester Formula: C20H17NO5S MolecularWeight: 383.41768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NSC1=C(C2=CC(=C(C=C2C=C1)O)O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(=O)NSC1=C(C2=CC(=C(C=C2C=C1)O)O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H17NO5S/c1-11(22)21-27-18-8-7-12-9-16(23)17(24)10-15(12)19(18)13-5-3-4-6-14(13)20(25)26-2/h3-10,23-24H,1-2H3,(H,21,22)