4-[[2-(furan-2-ylcarbonylamino)-1,3-thiazol-4-yl]carbonylamino]butanoate

Systemtic Name: 4-[[2-(furan-2-ylcarbonylamino)-1,3-thiazol-4-yl]carbonylamino]butanoate Openeye Name: 4-[[2-(furan-2-carbonylamino)thiazole-4-carbonyl]amino]butanoate CAS Name: 4-[[[2-[[2-furanyl(oxo)methyl]amino]-4-thiazolyl]-oxomethyl]amino]butanoate IUPAC Name: 4-[[2-(furan-2-carbonylamino)-1,3-thiazole-4-carbonyl]amino]butanoate Traditional Name: 4-[[2-(2-furoylamino)thiazole-4-carbonyl]amino]butyrate Formula: C13H12N3O5S- MolecularWeight: 322.31648

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC2=NC(=CS2)C(=O)NCCCC(=O)[O-]

Isomeric SMILES

C1=COC(=C1)C(=O)NC2=NC(=CS2)C(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C13H13N3O5S/c17-10(18)4-1-5-14-11(19)8-7-22-13(15-8)16-12(20)9-3-2-6-21-9/h2-3,6-7H,1,4-5H2,(H,14,19)(H,17,18)(H,15,16,20)/p-1