(E)-3-[4-[carboxysulfanylcarbonyl(ethyl)amino]phenyl]-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-[4-[carboxysulfanylcarbonyl(ethyl)amino]phenyl]-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-[4-[carboxysulfanylcarbonyl(ethyl)amino]phenyl]-2-cyano-prop-2-enoic acid CAS Name: (E)-3-[4-[[(carboxythio)-oxomethyl]-ethylamino]phenyl]-2-cyano-2-propenoic acid IUPAC Name: (E)-3-[4-[carboxysulfanylcarbonyl(ethyl)amino]phenyl]-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-[4-[(carboxythio)carbonyl-ethyl-amino]phenyl]-2-cyano-acrylic acid Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C=C(C#N)C(=O)O)C(=O)SC(=O)O

Isomeric SMILES

CCN(C1=CC=C(C=C1)/C=C(\C#N)/C(=O)O)C(=O)SC(=O)O

InChI

InChI=1S/C14H12N2O5S/c1-2-16(13(19)22-14(20)21)11-5-3-9(4-6-11)7-10(8-15)12(17)18/h3-7H,2H2,1H3,(H,17,18)(H,20,21)/b10-7+