4-[(2,5-dimethylphenyl)methyl]-2-piperazin-1-yl-5H-1,3-thiazole-4-carboxylic acid

Systemtic Name: 4-[(2,5-dimethylphenyl)methyl]-2-piperazin-1-yl-5H-1,3-thiazole-4-carboxylic acid Openeye Name: 4-[(2,5-dimethylphenyl)methyl]-2-piperazin-1-yl-5H-thiazole-4-carboxylic acid CAS Name: 4-[(2,5-dimethylphenyl)methyl]-2-(1-piperazinyl)-5H-thiazole-4-carboxylic acid IUPAC Name: 4-[(2,5-dimethylphenyl)methyl]-2-piperazin-1-yl-5H-1,3-thiazole-4-carboxylic acid Traditional Name: 4-(2,5-dimethylbenzyl)-2-piperazino-2-thiazoline-4-carboxylic acid Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2(CSC(=N2)N3CCNCC3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2(CSC(=N2)N3CCNCC3)C(=O)O

InChI

InChI=1S/C17H23N3O2S/c1-12-3-4-13(2)14(9-12)10-17(15(21)22)11-23-16(19-17)20-7-5-18-6-8-20/h3-4,9,18H,5-8,10-11H2,1-2H3,(H,21,22)