3-azanyl-4-(4-methoxyphenoxy)-5-sulfanyl-benzoic acid

Systemtic Name: 3-azanyl-4-(4-methoxyphenoxy)-5-sulfanyl-benzoic acid Openeye Name: 3-amino-4-(4-methoxyphenoxy)-5-sulfanyl-benzoic acid CAS Name: 3-amino-5-mercapto-4-(4-methoxyphenoxy)benzoic acid IUPAC Name: 3-amino-4-(4-methoxyphenoxy)-5-sulfanylbenzoic acid Traditional Name: 3-amino-5-mercapto-4-(4-methoxyphenoxy)benzoic acid Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(C=C(C=C2S)C(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(C=C(C=C2S)C(=O)O)N

InChI

InChI=1S/C14H13NO4S/c1-18-9-2-4-10(5-3-9)19-13-11(15)6-8(14(16)17)7-12(13)20/h2-7,20H,15H2,1H3,(H,16,17)