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

Systemtic Name: ethyl 2-[[(4-tert-butylphenyl)sulfonyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-tert-butylphenyl)sulfonyl-cyclopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[(4-tert-butylphenyl)sulfonyl-cyclopropylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-tert-butylphenyl)sulfonyl-cyclopropylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-tert-butylphenyl)sulfonyl-cyclopropyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H26N2O4S2 MolecularWeight: 422.56144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S2/c1-5-26-19(23)17-13-27-18(21-17)12-22(15-8-9-15)28(24,25)16-10-6-14(7-11-16)20(2,3)4/h6-7,10-11,13,15H,5,8-9,12H2,1-4H3