calcium 2-(4-methyl-2-phenoxy-1,3-thiazol-5-yl)propanoate

Systemtic Name: calcium 2-(4-methyl-2-phenoxy-1,3-thiazol-5-yl)propanoate Openeye Name: calcium 2-(4-methyl-2-phenoxy-thiazol-5-yl)propanoate CAS Name: calcium 2-(4-methyl-2-phenoxy-5-thiazolyl)propanoate IUPAC Name: calcium 2-(4-methyl-2-phenoxy-1,3-thiazol-5-yl)propanoate Traditional Name: calcium 2-(4-methyl-2-phenoxy-thiazol-5-yl)propionate Formula: C13H12CaNO3S+ MolecularWeight: 302.38228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)OC2=CC=CC=C2)C(C)C(=O)[O-].[Ca+2]

Isomeric SMILES

CC1=C(SC(=N1)OC2=CC=CC=C2)C(C)C(=O)[O-].[Ca+2]

InChI

InChI=1S/C13H13NO3S.Ca/c1-8(12(15)16)11-9(2)14-13(18-11)17-10-6-4-3-5-7-10;/h3-8H,1-2H3,(H,15,16);/q;+2/p-1