(E)-2-ethoxycarbonyl-3-oxidanylidene-1-phenylazanyl-but-1-ene-1-thiolate; 2-oxidanylpropanal; zinc

Systemtic Name: (E)-2-ethoxycarbonyl-3-oxidanylidene-1-phenylazanyl-but-1-ene-1-thiolate; 2-oxidanylpropanal; zinc Openeye Name: (E)-1-anilino-2-ethoxycarbonyl-3-oxo-but-1-ene-1-thiolate; 2-hydroxypropanal; zinc CAS Name: (E)-1-anilino-2-ethoxycarbonyl-3-oxo-1-butene-1-thiolate; 2-hydroxypropanal; zinc IUPAC Name: (E)-1-anilino-2-ethoxycarbonyl-3-oxobut-1-ene-1-thiolate; 2-hydroxypropanal; zinc Traditional Name: (E)-1-anilino-2-carbethoxy-3-keto-but-1-ene-1-thiolate; 2-hydroxypropionaldehyde; zinc Formula: C16H20NO5SZn- MolecularWeight: 403.8077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC=CC=C1)[S-])C(=O)C.CC(C=O)O.[Zn]

Isomeric SMILES

CCOC(=O)/C(=C(\NC1=CC=CC=C1)/[S-])/C(=O)C.CC(C=O)O.[Zn]

InChI

InChI=1S/C13H15NO3S.C3H6O2.Zn/c1-3-17-13(16)11(9(2)15)12(18)14-10-7-5-4-6-8-10;1-3(5)2-4;/h4-8,14,18H,3H2,1-2H3;2-3,5H,1H3;/p-1/b12-11+;;