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

Systemtic Name: 2-[2-(furan-2-yl)-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[2-(2-furyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[2-(2-furanyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[2-(furan-2-yl)-5-oxo-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[2-(2-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=CC=CO2

Isomeric SMILES

C1CSC(CN(C1=O)CC(=O)O)C2=CC=CO2

InChI

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