3-morpholin-4-yl-3-oxidanylidene-2-[(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxymethyl]propanoic acid

Systemtic Name: 3-morpholin-4-yl-3-oxidanylidene-2-[(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxymethyl]propanoic acid Openeye Name: 3-morpholino-3-oxo-2-[(6-thioxocyclohexa-1,3-dien-1-yl)oxymethyl]propanoic acid CAS Name: 3-(4-morpholinyl)-3-oxo-2-[(6-sulfanylidene-1-cyclohexa-1,3-dienyl)oxymethyl]propanoic acid IUPAC Name: 3-morpholin-4-yl-3-oxo-2-[(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxymethyl]propanoic acid Traditional Name: 3-keto-3-morpholino-2-[(6-thioxocyclohexa-1,3-dien-1-yl)oxymethyl]propionic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(COC2=CC=CCC2=S)C(=O)O

Isomeric SMILES

C1COCCN1C(=O)C(COC2=CC=CCC2=S)C(=O)O

InChI

InChI=1S/C14H17NO5S/c16-13(15-5-7-19-8-6-15)10(14(17)18)9-20-11-3-1-2-4-12(11)21/h1-3,10H,4-9H2,(H,17,18)