(E)-4-oxidanylidene-4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]but-2-enoic acid CAS Name: (E)-4-oxo-4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]but-2-enoic acid Traditional Name: (E)-4-keto-4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazino]but-2-enoic acid Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)C=CC(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H16N4O3S/c21-13(6-7-14(22)23)19-8-10-20(11-9-19)16-17-15(18-24-16)12-4-2-1-3-5-12/h1-7H,8-11H2,(H,22,23)/b7-6+