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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxylic acid Openeye Name: 1-[(4-methoxyphenyl)methyl]-2-methyl-5-(2-methylthiazol-4-yl)pyrrole-3-carboxylic acid CAS Name: 1-[(4-methoxyphenyl)methyl]-2-methyl-5-(2-methyl-4-thiazolyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-[(4-methoxyphenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxylic acid Traditional Name: 2-methyl-5-(2-methylthiazol-4-yl)-1-p-anisyl-pyrrole-3-carboxylic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-11-15(18(21)22)8-17(16-10-24-12(2)19-16)20(11)9-13-4-6-14(23-3)7-5-13/h4-8,10H,9H2,1-3H3,(H,21,22)