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

Systemtic Name: 5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 5-[2-(4-methoxyphenyl)thiazol-4-yl]-1-(3-methoxypropyl)-2-methyl-pyrrole-3-carboxylic acid CAS Name: 5-[2-(4-methoxyphenyl)-4-thiazolyl]-1-(3-methoxypropyl)-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)-2-methylpyrrole-3-carboxylic acid Traditional Name: 5-[2-(4-methoxyphenyl)thiazol-4-yl]-1-(3-methoxypropyl)-2-methyl-pyrrole-3-carboxylic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCCOC)C2=CSC(=N2)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CCCOC)C2=CSC(=N2)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C20H22N2O4S/c1-13-16(20(23)24)11-18(22(13)9-4-10-25-2)17-12-27-19(21-17)14-5-7-15(26-3)8-6-14/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,24)