2-[4-(4-oxidanylidene-6-thiomorpholin-4-ylcarbonyl-pyran-2-yl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4-oxidanylidene-6-thiomorpholin-4-ylcarbonyl-pyran-2-yl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[4-oxo-6-(thiomorpholine-4-carbonyl)pyran-2-carbonyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[oxo-[4-oxo-6-[oxo(thiomorpholin-4-yl)methyl]-2-pyranyl]methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[4-oxo-6-(thiomorpholine-4-carbonyl)pyran-2-carbonyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[4-keto-6-(thiomorpholine-4-carbonyl)pyran-2-carbonyl]piperazino]acetic acid Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)C2=CC(=O)C=C(O2)C(=O)N3CCSCC3

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)C2=CC(=O)C=C(O2)C(=O)N3CCSCC3

InChI

InChI=1S/C17H21N3O6S/c21-12-9-13(16(24)19-3-1-18(2-4-19)11-15(22)23)26-14(10-12)17(25)20-5-7-27-8-6-20/h9-10H,1-8,11H2,(H,22,23)