2-methyl-1-(2-methylpropyl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxylic acid

Systemtic Name: 2-methyl-1-(2-methylpropyl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxylic acid Openeye Name: 1-isobutyl-2-methyl-5-(2-pyrazin-2-ylthiazol-4-yl)pyrrole-3-carboxylic acid CAS Name: 2-methyl-1-(2-methylpropyl)-5-[2-(2-pyrazinyl)-4-thiazolyl]-3-pyrrolecarboxylic acid IUPAC Name: 2-methyl-1-(2-methylpropyl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxylic acid Traditional Name: 1-isobutyl-2-methyl-5-(2-pyrazin-2-ylthiazol-4-yl)pyrrole-3-carboxylic acid Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC(C)C)C2=CSC(=N2)C3=NC=CN=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC(C)C)C2=CSC(=N2)C3=NC=CN=C3)C(=O)O

InChI

InChI=1S/C17H18N4O2S/c1-10(2)8-21-11(3)12(17(22)23)6-15(21)14-9-24-16(20-14)13-7-18-4-5-19-13/h4-7,9-10H,8H2,1-3H3,(H,22,23)