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

Systemtic Name: 4-[2-[3-(2-azanyl-1,3-thiazol-4-yl)phenoxy]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[3-(2-aminothiazol-4-yl)phenoxy]acetyl]amino]benzoic acid CAS Name: 4-[[2-[3-(2-amino-4-thiazolyl)phenoxy]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[3-(2-aminothiazol-4-yl)phenoxy]acetyl]amino]benzoic acid Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CSC(=N3)N

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CSC(=N3)N

InChI

InChI=1S/C18H15N3O4S/c19-18-21-15(10-26-18)12-2-1-3-14(8-12)25-9-16(22)20-13-6-4-11(5-7-13)17(23)24/h1-8,10H,9H2,(H2,19,21)(H,20,22)(H,23,24)