calcium (E)-2-methyl-3-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)but-2-enoate

Systemtic Name: calcium (E)-2-methyl-3-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)but-2-enoate Openeye Name: calcium (E)-3-(4-isopropyl-4-methyl-5-thioxo-1H-imidazol-2-yl)-2-methyl-but-2-enoate CAS Name: calcium (E)-2-methyl-3-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)-2-butenoate IUPAC Name: calcium (E)-2-methyl-3-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)but-2-enoate Traditional Name: calcium (E)-3-(4-isopropyl-4-methyl-5-thioxo-2-imidazolin-2-yl)-2-methyl-but-2-enoate Formula: C24H34CaN4O4S2 MolecularWeight: 546.75916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=S)NC(=N1)C(=C(C)C(=O)[O-])C)C.CC(C)C1(C(=S)NC(=N1)C(=C(C)C(=O)[O-])C)C.[Ca+2]

Isomeric SMILES

CC(C1(N=C(NC1=S)/C(=C(/C(=O)[O-])\C)/C)C)C.CC(C1(N=C(NC1=S)/C(=C(/C(=O)[O-])\C)/C)C)C.[Ca+2]

InChI

InChI=1S/2C12H18N2O2S.Ca/c2*1-6(2)12(5)11(17)13-9(14-12)7(3)8(4)10(15)16;/h2*6H,1-5H3,(H,15,16)(H,13,14,17);/q;;+2/p-2/b2*8-7+;