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

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

CCCCN1C(=C(C=C1C2=CSC(=N2)C3=NC=CN=C3)C(=O)O)C

Isomeric SMILES

CCCCN1C(=C(C=C1C2=CSC(=N2)C3=NC=CN=C3)C(=O)O)C

InChI

InChI=1S/C17H18N4O2S/c1-3-4-7-21-11(2)12(17(22)23)8-15(21)14-10-24-16(20-14)13-9-18-5-6-19-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,22,23)