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

Systemtic Name: 4-oxidanylidene-4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]but-2-enoate Openeye Name: 4-oxo-4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]but-2-enoate CAS Name: 4-oxo-4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]-2-butenoate IUPAC Name: 4-oxo-4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]but-2-enoate Traditional Name: 4-keto-4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazino]but-2-enoate Formula: C16H15N4O3S- MolecularWeight: 343.3803

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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=CC(=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)/p-1