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

Systemtic Name: methyl 4-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-2,5-dimethyl-1-propan-2-yl-pyrrole-3-carboxylate Openeye Name: methyl 4-[2-(4-acetamidophenyl)thiazol-4-yl]-1-isopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-[2-(4-acetamidophenyl)-4-thiazolyl]-2,5-dimethyl-1-propan-2-yl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxylate Traditional Name: 4-[2-(4-acetamidophenyl)thiazol-4-yl]-1-isopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C(C)C)C)C(=O)OC)C2=CSC(=N2)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=C(C(=C(N1C(C)C)C)C(=O)OC)C2=CSC(=N2)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H25N3O3S/c1-12(2)25-13(3)19(20(14(25)4)22(27)28-6)18-11-29-21(24-18)16-7-9-17(10-8-16)23-15(5)26/h7-12H,1-6H3,(H,23,26)