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

Systemtic Name: (Z)-2-methyl-3-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)pent-2-enoic acid Openeye Name: (Z)-3-(4-isopropyl-4-methyl-5-thioxo-1H-imidazol-2-yl)-2-methyl-pent-2-enoic acid CAS Name: (Z)-2-methyl-3-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)-2-pentenoic acid IUPAC Name: (Z)-2-methyl-3-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)pent-2-enoic acid Traditional Name: (Z)-3-(4-isopropyl-4-methyl-5-thioxo-2-imidazolin-2-yl)-2-methyl-pent-2-enoic acid Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C)C(=O)O)C1=NC(C(=S)N1)(C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S/c1-6-9(8(4)11(16)17)10-14-12(18)13(5,15-10)7(2)3/h7H,6H2,1-5H3,(H,16,17)(H,14,15,18)/b9-8-