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

Systemtic Name: 4-[1-(2-azanyl-1,3-thiazol-4-yl)-3-methyl-1-oxidanyl-2-[(phenylmethyl)amino]butyl]benzoic acid Openeye Name: 4-[1-(2-aminothiazol-4-yl)-2-(benzylamino)-1-hydroxy-3-methyl-butyl]benzoic acid CAS Name: 4-[1-(2-amino-4-thiazolyl)-1-hydroxy-3-methyl-2-[(phenylmethyl)amino]butyl]benzoic acid IUPAC Name: 4-[1-(2-amino-1,3-thiazol-4-yl)-2-(benzylamino)-1-hydroxy-3-methylbutyl]benzoic acid Traditional Name: 4-[1-(2-aminothiazol-4-yl)-2-(benzylamino)-1-hydroxy-3-methyl-butyl]benzoic acid Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C1=CC=C(C=C1)C(=O)O)(C2=CSC(=N2)N)O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(C1=CC=C(C=C1)C(=O)O)(C2=CSC(=N2)N)O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-14(2)19(24-12-15-6-4-3-5-7-15)22(28,18-13-29-21(23)25-18)17-10-8-16(9-11-17)20(26)27/h3-11,13-14,19,24,28H,12H2,1-2H3,(H2,23,25)(H,26,27)