ethyl 2-[[(4-tert-butylphenyl)carbonyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(4-tert-butylphenyl)carbonyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-tert-butylbenzoyl)-cyclopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-tert-butylphenyl)-oxomethyl]-cyclopropylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-tert-butylbenzoyl)-cyclopropylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-tert-butylbenzoyl)-cyclopropyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H26N2O3S/c1-5-26-20(25)17-13-27-18(22-17)12-23(16-10-11-16)19(24)14-6-8-15(9-7-14)21(2,3)4/h6-9,13,16H,5,10-12H2,1-4H3