2-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]thiazole-5-carboxylic acid CAS Name: 2-[4-(1-oxo-3-phenylprop-2-ynyl)-1-piperazinyl]-5-thiazolecarboxylic acid IUPAC Name: 2-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[4-(3-phenylpropioloyl)piperazino]thiazole-5-carboxylic acid Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(S2)C(=O)O)C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=C(S2)C(=O)O)C(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C17H15N3O3S/c21-15(7-6-13-4-2-1-3-5-13)19-8-10-20(11-9-19)17-18-12-14(24-17)16(22)23/h1-5,12H,8-11H2,(H,22,23)