(3-morpholin-4-ylsulfonylphenyl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H27N3O5S2 MolecularWeight: 453.57548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H27N3O5S2/c1-15(2)6-7-21-20-22-18(14-29-20)19(24)28-13-16-4-3-5-17(12-16)30(25,26)23-8-10-27-11-9-23/h3-5,12,14-15H,6-11,13H2,1-2H3,(H,21,22)