sodium (Z)-2-azanyl-5-[2,4-bis(fluoranyl)phenyl]-5-thiophen-3-yl-pent-4-enoate

Systemtic Name: sodium (Z)-2-azanyl-5-[2,4-bis(fluoranyl)phenyl]-5-thiophen-3-yl-pent-4-enoate Openeye Name: sodium (Z)-2-amino-5-(2,4-difluorophenyl)-5-(3-thienyl)pent-4-enoate CAS Name: sodium (Z)-2-amino-5-(2,4-difluorophenyl)-5-(3-thiophenyl)-4-pentenoate IUPAC Name: sodium (Z)-2-amino-5-(2,4-difluorophenyl)-5-thiophen-3-ylpent-4-enoate Traditional Name: sodium (Z)-2-amino-5-(2,4-difluorophenyl)-5-(3-thienyl)pent-4-enoate Formula: C15H12F2NNaO2S MolecularWeight: 331.312856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)F)C(=CCC(C(=O)[O-])N)C2=CSC=C2.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1F)F)/C(=C/CC(C(=O)[O-])N)/C2=CSC=C2.[Na+]

InChI

InChI=1S/C15H13F2NO2S.Na/c16-10-1-2-12(13(17)7-10)11(9-5-6-21-8-9)3-4-14(18)15(19)20;/h1-3,5-8,14H,4,18H2,(H,19,20);/q;+1/p-1/b11-3+;