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

Systemtic Name: 4-[3-azanyl-4-(2-benzamido-1,3-thiazol-4-yl)-4-oxidanyl-butyl]benzoic acid Openeye Name: 4-[3-amino-4-(2-benzamidothiazol-4-yl)-4-hydroxy-butyl]benzoic acid CAS Name: 4-[3-amino-4-(2-benzamido-4-thiazolyl)-4-hydroxybutyl]benzoic acid IUPAC Name: 4-[3-amino-4-(2-benzamido-1,3-thiazol-4-yl)-4-hydroxybutyl]benzoic acid Traditional Name: 4-[3-amino-4-(2-benzamidothiazol-4-yl)-4-hydroxy-butyl]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(C(CCC3=CC=C(C=C3)C(=O)O)N)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C(C(CCC3=CC=C(C=C3)C(=O)O)N)O

InChI

InChI=1S/C21H21N3O4S/c22-16(11-8-13-6-9-15(10-7-13)20(27)28)18(25)17-12-29-21(23-17)24-19(26)14-4-2-1-3-5-14/h1-7,9-10,12,16,18,25H,8,11,22H2,(H,27,28)(H,23,24,26)