4-[2-[[2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-oxidanyl-ethyl]amino]ethyl]benzoic acid

Systemtic Name: 4-[2-[[2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-oxidanyl-ethyl]amino]ethyl]benzoic acid Openeye Name: 4-[2-[[2-(2-acetamido-4-methyl-thiazol-5-yl)-2-hydroxy-ethyl]amino]ethyl]benzoic acid CAS Name: 4-[2-[[2-(2-acetamido-4-methyl-5-thiazolyl)-2-hydroxyethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[[2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-2-hydroxyethyl]amino]ethyl]benzoic acid Traditional Name: 4-[2-[[2-(2-acetamido-4-methyl-thiazol-5-yl)-2-hydroxy-ethyl]amino]ethyl]benzoic acid Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C)C(CNCCC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C)C(CNCCC2=CC=C(C=C2)C(=O)O)O

InChI

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