disodium (E)-3-[4-[carboxylatosulfanylcarbonyl(ethyl)amino]phenyl]-2-cyano-prop-2-enoate

Systemtic Name: disodium (E)-3-[4-[carboxylatosulfanylcarbonyl(ethyl)amino]phenyl]-2-cyano-prop-2-enoate Openeye Name: disodium (E)-3-[4-[carboxylatosulfanylcarbonyl(ethyl)amino]phenyl]-2-cyano-prop-2-enoate CAS Name: disodium (E)-3-[4-[[(carboxylatothio)-oxomethyl]-ethylamino]phenyl]-2-cyano-2-propenoate IUPAC Name: disodium (E)-3-[4-[carboxylatosulfanylcarbonyl(ethyl)amino]phenyl]-2-cyanoprop-2-enoate Traditional Name: disodium (E)-3-[4-[(carboxylatothio)carbonyl-ethyl-amino]phenyl]-2-cyano-acrylate Formula: C14H10N2Na2O5S MolecularWeight: 364.28414

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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-].[Na+].[Na+]

Isomeric SMILES

CCN(C1=CC=C(C=C1)/C=C(\C#N)/C(=O)[O-])C(=O)SC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C14H12N2O5S.2Na/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);;/q;2*+1/p-2/b10-7+;;