calcium 2-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)propanoate

Systemtic Name: calcium 2-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)propanoate Openeye Name: calcium 2-(3-methyl-2-phenylimino-thiazol-4-yl)propanoate CAS Name: calcium 2-(3-methyl-2-phenylimino-4-thiazolyl)propanoate IUPAC Name: calcium 2-(3-methyl-2-phenylimino-1,3-thiazol-4-yl)propanoate Traditional Name: calcium 2-(3-methyl-2-phenylimino-4-thiazolin-4-yl)propionate Formula: C26H26CaN4O4S2 MolecularWeight: 562.71704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CSC(=NC2=CC=CC=C2)N1C)C(=O)[O-].CC(C1=CSC(=NC2=CC=CC=C2)N1C)C(=O)[O-].[Ca+2]

Isomeric SMILES

CC(C1=CSC(=NC2=CC=CC=C2)N1C)C(=O)[O-].CC(C1=CSC(=NC2=CC=CC=C2)N1C)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C13H14N2O2S.Ca/c2*1-9(12(16)17)11-8-18-13(15(11)2)14-10-6-4-3-5-7-10;/h2*3-9H,1-2H3,(H,16,17);/q;;+2/p-2