2-[(3-methoxy-4-pentoxy-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[(3-methoxy-4-pentoxy-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[(3-methoxy-4-pentoxy-phenyl)methylamino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[(3-methoxy-4-pentoxyphenyl)methylamino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[(3-methoxy-4-pentoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[(4-amoxy-3-methoxy-benzyl)amino]-4-methyl-thiazole-5-carboxylic acid Formula: C18H24N2O4S MolecularWeight: 364.45916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)CNC2=NC(=C(S2)C(=O)O)C)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)CNC2=NC(=C(S2)C(=O)O)C)OC

InChI

InChI=1S/C18H24N2O4S/c1-4-5-6-9-24-14-8-7-13(10-15(14)23-3)11-19-18-20-12(2)16(25-18)17(21)22/h7-8,10H,4-6,9,11H2,1-3H3,(H,19,20)(H,21,22)