6-[[[4-(2-adamantyl)-1,3-thiazol-2-yl]amino]methyl]-2,3-dimethoxy-benzoic acid

Systemtic Name: 6-[[[4-(2-adamantyl)-1,3-thiazol-2-yl]amino]methyl]-2,3-dimethoxy-benzoic acid Openeye Name: 6-[[[4-(2-adamantyl)thiazol-2-yl]amino]methyl]-2,3-dimethoxy-benzoic acid CAS Name: 6-[[[4-(2-adamantyl)-2-thiazolyl]amino]methyl]-2,3-dimethoxybenzoic acid IUPAC Name: 6-[[[4-(2-adamantyl)-1,3-thiazol-2-yl]amino]methyl]-2,3-dimethoxybenzoic acid Traditional Name: 6-[[[4-(2-adamantyl)thiazol-2-yl]amino]methyl]-2,3-dimethoxy-benzoic acid Formula: C23H28N2O4S MolecularWeight: 428.54442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNC2=NC(=CS2)C3C4CC5CC(C4)CC3C5)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CNC2=NC(=CS2)C3C4CC5CC(C4)CC3C5)C(=O)O)OC

InChI

InChI=1S/C23H28N2O4S/c1-28-18-4-3-14(20(22(26)27)21(18)29-2)10-24-23-25-17(11-30-23)19-15-6-12-5-13(8-15)9-16(19)7-12/h3-4,11-13,15-16,19H,5-10H2,1-2H3,(H,24,25)(H,26,27)