[2-[(4-fluoranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-[(4-fluoranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-[(4-fluorophenoxy)methyl]thiazol-4-yl]methyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[(4-fluorophenoxy)methyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-[(4-fluorophenoxy)methyl]thiazol-4-yl]methyl ester Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)OCC3=CSC(=N3)COC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)OCC3=CSC(=N3)COC4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN2O3S/c1-13-9-19(14(2)24(13)17-5-6-17)21(25)27-10-16-12-28-20(23-16)11-26-18-7-3-15(22)4-8-18/h3-4,7-9,12,17H,5-6,10-11H2,1-2H3