(3E)-3-[[(E)-1-azanyl-3-oxidanylidene-3-pyrrolidin-1-yl-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-oxidanylidene-3-pyrrolidin-1-yl-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-(pyrrolidine-1-carbonyl)-2-sulfanyl-vinyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: (3E)-3-[[(E)-1-amino-1-mercapto-3-oxo-3-(1-pyrrolidinyl)prop-1-en-2-yl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: (3E)-3-[[(E)-1-amino-3-oxo-3-pyrrolidin-1-yl-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-(pyrrolidine-1-carbonyl)vinyl]hydrazono]-6-keto-cyclohexa-1,4-diene-1-carboxylic acid Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(=C(N)S)NN=C2C=CC(=O)C(=C2)C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)/C(=C(/N)\S)/N/N=C/2\C=CC(=O)C(=C2)C(=O)O

InChI

InChI=1S/C14H16N4O4S/c15-12(23)11(13(20)18-5-1-2-6-18)17-16-8-3-4-10(19)9(7-8)14(21)22/h3-4,7,17,23H,1-2,5-6,15H2,(H,21,22)/b12-11+,16-8+