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

Systemtic Name: ethyl 2-[[(4-tert-butylphenyl)carbonyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-tert-butylbenzoyl)-propyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-tert-butylphenyl)-oxomethyl]-propylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-tert-butylbenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-tert-butylbenzoyl)-propyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H28N2O3S/c1-6-12-23(13-18-22-17(14-27-18)20(25)26-7-2)19(24)15-8-10-16(11-9-15)21(3,4)5/h8-11,14H,6-7,12-13H2,1-5H3