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

Systemtic Name: ethyl 2-[[(4-tert-butylphenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-tert-butylphenyl)sulfonyl-(3-methoxypropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[(4-tert-butylphenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-tert-butylphenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-tert-butylphenyl)sulfonyl-(3-methoxypropyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H30N2O5S2 MolecularWeight: 454.6033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5S2/c1-6-28-20(24)18-15-29-19(22-18)14-23(12-7-13-27-5)30(25,26)17-10-8-16(9-11-17)21(2,3)4/h8-11,15H,6-7,12-14H2,1-5H3