(E)-4-oxidanylidene-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]carbonylamino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]carbonylamino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[(4-thiazol-2-ylpiperazine-1-carbonyl)amino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[[oxo-[4-(2-thiazolyl)-1-piperazinyl]methyl]amino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]but-2-enoic acid Traditional Name: (E)-4-keto-4-[(4-thiazol-2-ylpiperazine-1-carbonyl)amino]but-2-enoic acid Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CS2)C(=O)NC(=O)C=CC(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=CS2)C(=O)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H14N4O4S/c17-9(1-2-10(18)19)14-11(20)15-4-6-16(7-5-15)12-13-3-8-21-12/h1-3,8H,4-7H2,(H,18,19)(H,14,17,20)/b2-1+