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

Systemtic Name: 2-[(3-methoxy-2-propoxy-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[(3-methoxy-2-propoxy-phenyl)methylamino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[(3-methoxy-2-propoxyphenyl)methylamino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[(3-methoxy-2-propoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[(3-methoxy-2-propoxy-benzyl)amino]-4-methyl-thiazole-5-carboxylic acid Formula: C16H20N2O4S MolecularWeight: 336.406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OC)CNC2=NC(=C(S2)C(=O)O)C

Isomeric SMILES

CCCOC1=C(C=CC=C1OC)CNC2=NC(=C(S2)C(=O)O)C

InChI

InChI=1S/C16H20N2O4S/c1-4-8-22-13-11(6-5-7-12(13)21-3)9-17-16-18-10(2)14(23-16)15(19)20/h5-7H,4,8-9H2,1-3H3,(H,17,18)(H,19,20)