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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxylic acid Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(2-pyrazin-2-ylthiazol-4-yl)pyrrole-3-carboxylic acid CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-[2-(2-pyrazinyl)-4-thiazolyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxylic acid Traditional Name: 1-homoveratryl-2-methyl-5-(2-pyrazin-2-ylthiazol-4-yl)pyrrole-3-carboxylic acid Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCC2=CC(=C(C=C2)OC)OC)C3=CSC(=N3)C4=NC=CN=C4)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CCC2=CC(=C(C=C2)OC)OC)C3=CSC(=N3)C4=NC=CN=C4)C(=O)O

InChI

InChI=1S/C23H22N4O4S/c1-14-16(23(28)29)11-19(18-13-32-22(26-18)17-12-24-7-8-25-17)27(14)9-6-15-4-5-20(30-2)21(10-15)31-3/h4-5,7-8,10-13H,6,9H2,1-3H3,(H,28,29)