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

Systemtic Name: 4-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-3-azanyl-4-oxidanyl-butyl]benzoic acid Openeye Name: 4-[4-(2-acetamido-4-methyl-thiazol-5-yl)-3-amino-4-hydroxy-butyl]benzoic acid CAS Name: 4-[4-(2-acetamido-4-methyl-5-thiazolyl)-3-amino-4-hydroxybutyl]benzoic acid IUPAC Name: 4-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-3-amino-4-hydroxybutyl]benzoic acid Traditional Name: 4-[4-(2-acetamido-4-methyl-thiazol-5-yl)-3-amino-4-hydroxy-butyl]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(C(CCC2=CC=C(C=C2)C(=O)O)N)O

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C)C(C(CCC2=CC=C(C=C2)C(=O)O)N)O

InChI

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