calcium 2-[4-[(3,4-dimethyl-1,3-thiazol-2-ylidene)amino]-2-fluoranyl-phenyl]propanoate

Systemtic Name: calcium 2-[4-[(3,4-dimethyl-1,3-thiazol-2-ylidene)amino]-2-fluoranyl-phenyl]propanoate Openeye Name: calcium 2-[4-[(3,4-dimethylthiazol-2-ylidene)amino]-2-fluoro-phenyl]propanoate CAS Name: calcium 2-[4-[(3,4-dimethyl-2-thiazolylidene)amino]-2-fluorophenyl]propanoate IUPAC Name: calcium 2-[4-[(3,4-dimethyl-1,3-thiazol-2-ylidene)amino]-2-fluorophenyl]propanoate Traditional Name: calcium 2-[4-[(3,4-dimethyl-4-thiazolin-2-ylidene)amino]-2-fluoro-phenyl]propionate Formula: C28H28CaF2N4O4S2 MolecularWeight: 626.751126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=NC2=CC(=C(C=C2)C(C)C(=O)[O-])F)N1C.CC1=CSC(=NC2=CC(=C(C=C2)C(C)C(=O)[O-])F)N1C.[Ca+2]

Isomeric SMILES

CC1=CSC(=NC2=CC(=C(C=C2)C(C)C(=O)[O-])F)N1C.CC1=CSC(=NC2=CC(=C(C=C2)C(C)C(=O)[O-])F)N1C.[Ca+2]

InChI

InChI=1S/2C14H15FN2O2S.Ca/c2*1-8-7-20-14(17(8)3)16-10-4-5-11(12(15)6-10)9(2)13(18)19;/h2*4-7,9H,1-3H3,(H,18,19);/q;;+2/p-2