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

Systemtic Name: 4-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)-2-oxidanyl-ethyl]amino]ethyl]benzoic acid Openeye Name: 4-[2-[[2-(2-benzamidothiazol-4-yl)-2-hydroxy-ethyl]amino]ethyl]benzoic acid CAS Name: 4-[2-[[2-(2-benzamido-4-thiazolyl)-2-hydroxyethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]ethyl]benzoic acid Traditional Name: 4-[2-[[2-(2-benzamidothiazol-4-yl)-2-hydroxy-ethyl]amino]ethyl]benzoic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C(CNCCC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C(CNCCC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C21H21N3O4S/c25-18(12-22-11-10-14-6-8-16(9-7-14)20(27)28)17-13-29-21(23-17)24-19(26)15-4-2-1-3-5-15/h1-9,13,18,22,25H,10-12H2,(H,27,28)(H,23,24,26)