1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxylic acid

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxylic acid Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methylthiazol-4-yl)pyrrole-3-carboxylic acid CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methyl-4-thiazolyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxylic acid Traditional Name: 1-homoveratryl-2-methyl-5-(2-methylthiazol-4-yl)pyrrole-3-carboxylic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCC2=CC(=C(C=C2)OC)OC)C3=CSC(=N3)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CCC2=CC(=C(C=C2)OC)OC)C3=CSC(=N3)C)C(=O)O

InChI

InChI=1S/C20H22N2O4S/c1-12-15(20(23)24)10-17(16-11-27-13(2)21-16)22(12)8-7-14-5-6-18(25-3)19(9-14)26-4/h5-6,9-11H,7-8H2,1-4H3,(H,23,24)