4-[(2,4-dimethylphenyl)carbonyl-methyl-amino]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-[(2,4-dimethylphenyl)carbonyl-methyl-amino]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid Openeye Name: 4-[(2,4-dimethylbenzoyl)-methyl-amino]-2-morpholino-thiazole-5-carboxylic acid CAS Name: 4-[[(2,4-dimethylphenyl)-oxomethyl]-methylamino]-2-(4-morpholinyl)-5-thiazolecarboxylic acid IUPAC Name: 4-[(2,4-dimethylbenzoyl)-methylamino]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid Traditional Name: 4-[(2,4-dimethylbenzoyl)-methyl-amino]-2-morpholino-thiazole-5-carboxylic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N(C)C2=C(SC(=N2)N3CCOCC3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N(C)C2=C(SC(=N2)N3CCOCC3)C(=O)O)C

InChI

InChI=1S/C18H21N3O4S/c1-11-4-5-13(12(2)10-11)16(22)20(3)15-14(17(23)24)26-18(19-15)21-6-8-25-9-7-21/h4-5,10H,6-9H2,1-3H3,(H,23,24)