(3E)-3-[[(E)-1-azanyl-3-morpholin-4-yl-3-oxidanylidene-1-sulfanyl-prop-1-en-2-yl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: (3E)-3-[[(E)-1-azanyl-3-morpholin-4-yl-3-oxidanylidene-1-sulfanyl-prop-1-en-2-yl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: (3E)-3-[[(E)-2-amino-1-(morpholine-4-carbonyl)-2-sulfanyl-vinyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: (3E)-3-[[(E)-1-amino-1-mercapto-3-(4-morpholinyl)-3-oxoprop-1-en-2-yl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: (3E)-3-[[(E)-1-amino-3-morpholin-4-yl-3-oxo-1-sulfanylprop-1-en-2-yl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: (3E)-3-[[(E)-2-amino-2-mercapto-1-(morpholine-4-carbonyl)vinyl]hydrazono]-6-keto-cyclohexa-1,4-diene-1-carboxylic acid Formula: C14H16N4O5S MolecularWeight: 352.36564

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(=C(N)S)NN=C2C=CC(=O)C(=C2)C(=O)O

Isomeric SMILES

C1COCCN1C(=O)/C(=C(/N)\S)/N/N=C/2\C=CC(=O)C(=C2)C(=O)O

InChI

InChI=1S/C14H16N4O5S/c15-12(24)11(13(20)18-3-5-23-6-4-18)17-16-8-1-2-10(19)9(7-8)14(21)22/h1-2,7,17,24H,3-6,15H2,(H,21,22)/b12-11+,16-8+