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

Systemtic Name: 3-azanyl-4-(4-methoxyphenoxy)-5-(phenylmethylsulfanyl)benzoic acid Openeye Name: 3-amino-5-benzylsulfanyl-4-(4-methoxyphenoxy)benzoic acid CAS Name: 3-amino-4-(4-methoxyphenoxy)-5-(phenylmethylthio)benzoic acid IUPAC Name: 3-amino-5-benzylsulfanyl-4-(4-methoxyphenoxy)benzoic acid Traditional Name: 3-amino-5-(benzylthio)-4-(4-methoxyphenoxy)benzoic acid Formula: C21H19NO4S MolecularWeight: 381.44486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(C=C(C=C2SCC3=CC=CC=C3)C(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(C=C(C=C2SCC3=CC=CC=C3)C(=O)O)N

InChI

InChI=1S/C21H19NO4S/c1-25-16-7-9-17(10-8-16)26-20-18(22)11-15(21(23)24)12-19(20)27-13-14-5-3-2-4-6-14/h2-12H,13,22H2,1H3,(H,23,24)