(E)-2-[(Z)-1-cyanobut-1-enyl]sulfanylbut-2-enoic acid

Systemtic Name: (E)-2-[(Z)-1-cyanobut-1-enyl]sulfanylbut-2-enoic acid Openeye Name: (E)-2-[(Z)-1-cyanobut-1-enyl]sulfanylbut-2-enoic acid CAS Name: (E)-2-[[(Z)-1-cyanobut-1-enyl]thio]-2-butenoic acid IUPAC Name: (E)-2-[(Z)-1-cyanobut-1-enyl]sulfanylbut-2-enoic acid Traditional Name: (E)-2-[[(Z)-1-cyanobut-1-enyl]thio]but-2-enoic acid Formula: C9H11NO2S MolecularWeight: 197.25414

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C#N)SC(=CC)C(=O)O

Isomeric SMILES

CC/C=C(/C#N)\S/C(=C/C)/C(=O)O

InChI

InChI=1S/C9H11NO2S/c1-3-5-7(6-10)13-8(4-2)9(11)12/h4-5H,3H2,1-2H3,(H,11,12)/b7-5-,8-4+