3-[[4-(2-azanyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-(2-azanyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-(2-aminothiazol-4-yl)phenoxy]methyl]benzoic acid CAS Name: 3-[[4-(2-amino-4-thiazolyl)phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-(2-aminothiazol-4-yl)phenoxy]methyl]benzoic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)O

InChI

InChI=1S/C17H14N2O3S/c18-17-19-15(10-23-17)12-4-6-14(7-5-12)22-9-11-2-1-3-13(8-11)16(20)21/h1-8,10H,9H2,(H2,18,19)(H,20,21)