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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C=C2C3=CSC(=N3)C4=CC=C(C=C4)OC)C(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C=C2C3=CSC(=N3)C4=CC=C(C=C4)OC)C(=O)O)C

InChI

InChI=1S/C24H22N2O3S/c1-15-6-4-5-7-18(15)13-26-16(2)20(24(27)28)12-22(26)21-14-30-23(25-21)17-8-10-19(29-3)11-9-17/h4-12,14H,13H2,1-3H3,(H,27,28)