ethyl 5-methyl-2-[[3-(methylsulfonylmethyl)phenyl]carbonyl-phenethyl-amino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-2-[[3-(methylsulfonylmethyl)phenyl]carbonyl-phenethyl-amino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 5-methyl-2-[[3-(methylsulfonylmethyl)benzoyl]-phenethyl-amino]thiazole-4-carboxylate CAS Name: 5-methyl-2-[[[3-(methylsulfonylmethyl)phenyl]-oxomethyl]-phenethylamino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[3-(methylsulfonylmethyl)benzoyl]-phenethylamino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[3-(mesylmethyl)benzoyl]-phenethyl-amino]-5-methyl-thiazole-4-carboxylic acid ethyl ester Formula: C24H26N2O5S2 MolecularWeight: 486.60364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=N1)N(CCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)CS(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=N1)N(CCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)CS(=O)(=O)C)C

InChI

InChI=1S/C24H26N2O5S2/c1-4-31-23(28)21-17(2)32-24(25-21)26(14-13-18-9-6-5-7-10-18)22(27)20-12-8-11-19(15-20)16-33(3,29)30/h5-12,15H,4,13-14,16H2,1-3H3