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

Systemtic Name: 5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-phenethyl-pyrrole-3-carboxylic acid Openeye Name: 5-[2-(4-methoxyphenyl)thiazol-4-yl]-2-methyl-1-phenethyl-pyrrole-3-carboxylic acid CAS Name: 5-[2-(4-methoxyphenyl)-4-thiazolyl]-2-methyl-1-phenethyl-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-phenethylpyrrole-3-carboxylic acid Traditional Name: 5-[2-(4-methoxyphenyl)thiazol-4-yl]-2-methyl-1-phenethyl-pyrrole-3-carboxylic acid Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O3S/c1-16-20(24(27)28)14-22(26(16)13-12-17-6-4-3-5-7-17)21-15-30-23(25-21)18-8-10-19(29-2)11-9-18/h3-11,14-15H,12-13H2,1-2H3,(H,27,28)