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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

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