methyl 5-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[(4-fluorophenyl)methylamino]thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(4-fluorophenyl)methylamino]-4-thiazolyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(4-fluorobenzyl)amino]thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H18FN3O2S MolecularWeight: 359.417823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C2=CSC(=N2)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C2=CSC(=N2)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN3O2S/c1-10-15(17(23)24-3)11(2)21-16(10)14-9-25-18(22-14)20-8-12-4-6-13(19)7-5-12/h4-7,9,21H,8H2,1-3H3,(H,20,22)