4-methyl-2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-methyl-2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-[(4-isopropylphenyl)methylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[2-oxo-2-[(4-propan-2-ylphenyl)methylamino]ethyl]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[2-oxo-2-[(4-propan-2-ylphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-[(4-isopropylbenzyl)amino]-2-keto-ethyl]-4-methyl-thiazole-5-carboxylic acid Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC(=O)NCC2=CC=C(C=C2)C(C)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)CC(=O)NCC2=CC=C(C=C2)C(C)C)C(=O)O

InChI

InChI=1S/C17H20N2O3S/c1-10(2)13-6-4-12(5-7-13)9-18-14(20)8-15-19-11(3)16(23-15)17(21)22/h4-7,10H,8-9H2,1-3H3,(H,18,20)(H,21,22)