copper; methyl N-(1H-benzimidazol-2-yl)carbamate; 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide; 2-oxidanylbenzoate; quinolin-8-olate

Systemtic Name: copper; methyl N-(1H-benzimidazol-2-yl)carbamate; 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide; 2-oxidanylbenzoate; quinolin-8-olate Openeye Name: copper; 2-hydroxybenzoate; methyl N-(1H-benzimidazol-2-yl)carbamate; 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide; quinolin-8-olate CAS Name: copper; N-(1H-benzimidazol-2-yl)carbamic acid methyl ester; 2-hydroxybenzoate; 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiin-5-carboxamide; 8-quinolinolate IUPAC Name: copper; 2-hydroxybenzoate; methyl N-(1H-benzimidazol-2-yl)carbamate; 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide; quinolin-8-olate Traditional Name: cupric; N-(1H-benzimidazol-2-yl)carbamic acid methyl ester; 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiin-5-carboxamide; quinolin-8-olate; salicylate Formula: C37H33CuN5O8S MolecularWeight: 771.29762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SCCO1)C(=O)NC2=CC=CC=C2.COC(=O)NC1=NC2=CC=CC=C2N1.C1=CC=C(C(=C1)C(=O)[O-])O.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]

Isomeric SMILES

CC1=C(SCCO1)C(=O)NC2=CC=CC=C2.COC(=O)NC1=NC2=CC=CC=C2N1.C1=CC=C(C(=C1)C(=O)[O-])O.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]

InChI

InChI=1S/C12H13NO2S.C9H9N3O2.C9H7NO.C7H6O3.Cu/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10;1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8;11-8-5-1-3-7-4-2-6-10-9(7)8;8-6-4-2-1-3-5(6)7(9)10;/h2-6H,7-8H2,1H3,(H,13,14);2-5H,1H3,(H2,10,11,12,13);1-6,11H;1-4,8H,(H,9,10);/q;;;;+2/p-2