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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxylic acid Openeye Name: 1-[(4-methoxyphenyl)methyl]-2-methyl-5-(2-pyrazin-2-ylthiazol-4-yl)pyrrole-3-carboxylic acid CAS Name: 1-[(4-methoxyphenyl)methyl]-2-methyl-5-[2-(2-pyrazinyl)-4-thiazolyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[(4-methoxyphenyl)methyl]-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxylic acid Traditional Name: 2-methyl-1-p-anisyl-5-(2-pyrazin-2-ylthiazol-4-yl)pyrrole-3-carboxylic acid Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2=CC=C(C=C2)OC)C3=CSC(=N3)C4=NC=CN=C4)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC2=CC=C(C=C2)OC)C3=CSC(=N3)C4=NC=CN=C4)C(=O)O

InChI

InChI=1S/C21H18N4O3S/c1-13-16(21(26)27)9-19(25(13)11-14-3-5-15(28-2)6-4-14)18-12-29-20(24-18)17-10-22-7-8-23-17/h3-10,12H,11H2,1-2H3,(H,26,27)