2-[3-oxidanylidene-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-1-ynyl]benzoic acid

Systemtic Name: 2-[3-oxidanylidene-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-1-ynyl]benzoic acid Openeye Name: 2-[3-oxo-3-(4-thiazol-2-ylpiperazin-1-yl)prop-1-ynyl]benzoic acid CAS Name: 2-[3-oxo-3-[4-(2-thiazolyl)-1-piperazinyl]prop-1-ynyl]benzoic acid IUPAC Name: 2-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-1-ynyl]benzoic acid Traditional Name: 2-[3-keto-3-(4-thiazol-2-ylpiperazino)prop-1-ynyl]benzoic acid Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CS2)C(=O)C#CC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=CS2)C(=O)C#CC3=CC=CC=C3C(=O)O

InChI

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