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

Systemtic Name: (E)-2-methyl-3-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)but-2-enoate; propan-2-ylazanium Openeye Name: isopropylammonium; (E)-3-(4-isopropyl-4-methyl-5-thioxo-1H-imidazol-2-yl)-2-methyl-but-2-enoate CAS Name: (E)-2-methyl-3-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)-2-butenoate; propan-2-ylammonium IUPAC Name: (E)-2-methyl-3-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)but-2-enoate; propan-2-ylazanium Traditional Name: isopropylammonium; (E)-3-(4-isopropyl-4-methyl-5-thioxo-2-imidazolin-2-yl)-2-methyl-but-2-enoate Formula: C15H27N3O2S MolecularWeight: 313.45878

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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)[NH3+]

Isomeric SMILES

CC(C)C1(C(=S)NC(=N1)/C(=C(\C)/C(=O)[O-])/C)C.CC(C)[NH3+]

InChI

InChI=1S/C12H18N2O2S.C3H9N/c1-6(2)12(5)11(17)13-9(14-12)7(3)8(4)10(15)16;1-3(2)4/h6H,1-5H3,(H,15,16)(H,13,14,17);3H,4H2,1-2H3/b8-7+;