2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-keto-2-(veratrylamino)ethyl]-4-methyl-thiazole-5-carboxylic acid Formula: C16H18N2O5S MolecularWeight: 350.38952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC(=O)NCC2=CC(=C(C=C2)OC)OC)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)CC(=O)NCC2=CC(=C(C=C2)OC)OC)C(=O)O

InChI

InChI=1S/C16H18N2O5S/c1-9-15(16(20)21)24-14(18-9)7-13(19)17-8-10-4-5-11(22-2)12(6-10)23-3/h4-6H,7-8H2,1-3H3,(H,17,19)(H,20,21)