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

Systemtic Name: 4-[2-[[2-(2-acetamido-1,3-thiazol-4-yl)-2-oxidanyl-ethyl]amino]propyl]benzoic acid Openeye Name: 4-[2-[[2-(2-acetamidothiazol-4-yl)-2-hydroxy-ethyl]amino]propyl]benzoic acid CAS Name: 4-[2-[[2-(2-acetamido-4-thiazolyl)-2-hydroxyethyl]amino]propyl]benzoic acid IUPAC Name: 4-[2-[[2-(2-acetamido-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propyl]benzoic acid Traditional Name: 4-[2-[[2-(2-acetamidothiazol-4-yl)-2-hydroxy-ethyl]amino]propyl]benzoic acid Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)O)NCC(C2=CSC(=N2)NC(=O)C)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)O)NCC(C2=CSC(=N2)NC(=O)C)O

InChI

InChI=1S/C17H21N3O4S/c1-10(7-12-3-5-13(6-4-12)16(23)24)18-8-15(22)14-9-25-17(20-14)19-11(2)21/h3-6,9-10,15,18,22H,7-8H2,1-2H3,(H,23,24)(H,19,20,21)