2-[2-(furan-3-yl)-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[2-(furan-3-yl)-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[2-(3-furyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[2-(3-furanyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[2-(furan-3-yl)-5-oxo-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[2-(3-furyl)-5-keto-1,4-thiazepan-4-yl]acetic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(CN(C1=O)CC(=O)O)C2=COC=C2

Isomeric SMILES

C1CSC(CN(C1=O)CC(=O)O)C2=COC=C2

InChI

InChI=1S/C11H13NO4S/c13-10-2-4-17-9(8-1-3-16-7-8)5-12(10)6-11(14)15/h1,3,7,9H,2,4-6H2,(H,14,15)