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

Systemtic Name: (E)-2-methyl-3-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)but-2-enoic acid Openeye Name: (E)-3-(4-isopropyl-4-methyl-5-thioxo-1H-imidazol-2-yl)-2-methyl-but-2-enoic acid CAS Name: (E)-2-methyl-3-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)-2-butenoic acid IUPAC Name: (E)-2-methyl-3-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)but-2-enoic acid Traditional Name: (E)-3-(4-isopropyl-4-methyl-5-thioxo-2-imidazolin-2-yl)-2-methyl-but-2-enoic acid Formula: C12H18N2O2S MolecularWeight: 254.34852

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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

Isomeric SMILES

CC(C)C1(C(=S)NC(=N1)/C(=C(\C)/C(=O)O)/C)C

InChI

InChI=1S/C12H18N2O2S/c1-6(2)12(5)11(17)13-9(14-12)7(3)8(4)10(15)16/h6H,1-5H3,(H,15,16)(H,13,14,17)/b8-7+