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

Systemtic Name: 2-[4-(4-oxidanylidene-6-thiomorpholin-4-ylcarbonyl-pyran-2-yl)carbonyl-1,4-diazepan-1-yl]ethanoic acid Openeye Name: 2-[4-[4-oxo-6-(thiomorpholine-4-carbonyl)pyran-2-carbonyl]-1,4-diazepan-1-yl]acetic acid CAS Name: 2-[4-[oxo-[4-oxo-6-[oxo(thiomorpholin-4-yl)methyl]-2-pyranyl]methyl]-1,4-diazepan-1-yl]acetic acid IUPAC Name: 2-[4-[4-oxo-6-(thiomorpholine-4-carbonyl)pyran-2-carbonyl]-1,4-diazepan-1-yl]acetic acid Traditional Name: 2-[4-[4-keto-6-(thiomorpholine-4-carbonyl)pyran-2-carbonyl]-1,4-diazepan-1-yl]acetic acid Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=O)C=C(O2)C(=O)N3CCSCC3)CC(=O)O

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=O)C=C(O2)C(=O)N3CCSCC3)CC(=O)O

InChI

InChI=1S/C18H23N3O6S/c22-13-10-14(27-15(11-13)18(26)21-6-8-28-9-7-21)17(25)20-3-1-2-19(4-5-20)12-16(23)24/h10-11H,1-9,12H2,(H,23,24)