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

Systemtic Name: 1-butyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 1-butyl-5-[2-(4-methoxyphenyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid CAS Name: 1-butyl-5-[2-(4-methoxyphenyl)-4-thiazolyl]-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 1-butyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxylic acid Traditional Name: 1-butyl-5-[2-(4-methoxyphenyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C=C1C2=CSC(=N2)C3=CC=C(C=C3)OC)C(=O)O)C

Isomeric SMILES

CCCCN1C(=C(C=C1C2=CSC(=N2)C3=CC=C(C=C3)OC)C(=O)O)C

InChI

InChI=1S/C20H22N2O3S/c1-4-5-10-22-13(2)16(20(23)24)11-18(22)17-12-26-19(21-17)14-6-8-15(25-3)9-7-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,24)