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

Systemtic Name: 2-[(3-ethoxy-4-oxidanyl-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[(3-ethoxy-4-hydroxy-phenyl)methylamino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[(3-ethoxy-4-hydroxyphenyl)methylamino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[(3-ethoxy-4-hydroxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[(3-ethoxy-4-hydroxy-benzyl)amino]-4-methyl-thiazole-5-carboxylic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC2=NC(=C(S2)C(=O)O)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC2=NC(=C(S2)C(=O)O)C)O

InChI

InChI=1S/C14H16N2O4S/c1-3-20-11-6-9(4-5-10(11)17)7-15-14-16-8(2)12(21-14)13(18)19/h4-6,17H,3,7H2,1-2H3,(H,15,16)(H,18,19)