calcium 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]ethanoate

Systemtic Name: calcium 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]ethanoate Openeye Name: calcium 2-[4-(4-chlorophenyl)-2-phenyl-thiazol-5-yl]acetate CAS Name: calcium 2-[4-(4-chlorophenyl)-2-phenyl-5-thiazolyl]acetate IUPAC Name: calcium 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetate Traditional Name: calcium 2-[4-(4-chlorophenyl)-2-phenyl-thiazol-5-yl]acetate Formula: C34H22CaCl2N2O4S2 MolecularWeight: 697.66348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(S2)CC(=O)[O-])C3=CC=C(C=C3)Cl.C1=CC=C(C=C1)C2=NC(=C(S2)CC(=O)[O-])C3=CC=C(C=C3)Cl.[Ca+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(S2)CC(=O)[O-])C3=CC=C(C=C3)Cl.C1=CC=C(C=C1)C2=NC(=C(S2)CC(=O)[O-])C3=CC=C(C=C3)Cl.[Ca+2]

InChI

InChI=1S/2C17H12ClNO2S.Ca/c2*18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12;/h2*1-9H,10H2,(H,20,21);/q;;+2/p-2