(2-chloranyl-4-nitro-phenyl) (1Z)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-2-methyl-propanimidothioate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) (1Z)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-2-methyl-propanimidothioate Openeye Name: (2-chloro-4-nitro-phenyl) (1Z)-N-[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-2-methyl-propanimidothioate CAS Name: (1Z)-N-[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-2-methylpropanimidothioic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) (1Z)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-2-methylpropanimidothioate Traditional Name: (1Z)-N-[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-2-methyl-thiopropionimidic acid (2-chloro-4-nitro-phenyl) ester Formula: C22H24ClN3O5S2 MolecularWeight: 510.02606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=NSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)/C(=N/SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C)/SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H24ClN3O5S2/c1-13(2)20(32-18-10-9-15(26(28)29)11-16(18)23)24-33-25(5)21(27)30-17-8-6-7-14-12-22(3,4)31-19(14)17/h6-11,13H,12H2,1-5H3/b24-20-