4-[2-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanyl-ethyl]amino]ethyl]benzoic acid

Systemtic Name: 4-[2-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanyl-ethyl]amino]ethyl]benzoic acid Openeye Name: 4-[2-[[2-(2-aminothiazol-4-yl)-2-hydroxy-ethyl]amino]ethyl]benzoic acid CAS Name: 4-[2-[[2-(2-amino-4-thiazolyl)-2-hydroxyethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]ethyl]benzoic acid Traditional Name: 4-[2-[[2-(2-aminothiazol-4-yl)-2-hydroxy-ethyl]amino]ethyl]benzoic acid Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNCC(C2=CSC(=N2)N)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCNCC(C2=CSC(=N2)N)O)C(=O)O

InChI

InChI=1S/C14H17N3O3S/c15-14-17-11(8-21-14)12(18)7-16-6-5-9-1-3-10(4-2-9)13(19)20/h1-4,8,12,16,18H,5-7H2,(H2,15,17)(H,19,20)