(3-cyano-4-ethoxy-phenyl) (1E)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-2-methyl-propanimidothioate

Systemtic Name: (3-cyano-4-ethoxy-phenyl) (1E)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-2-methyl-propanimidothioate Openeye Name: (3-cyano-4-ethoxy-phenyl) (1E)-N-[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-2-methyl-propanimidothioate CAS Name: (1E)-N-[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-2-methylpropanimidothioic acid (3-cyano-4-ethoxyphenyl) ester IUPAC Name: (3-cyano-4-ethoxyphenyl) (1E)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-2-methylpropanimidothioate Traditional Name: (1E)-N-[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-2-methyl-thiopropionimidic acid (3-cyano-4-ethoxy-phenyl) ester Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)SC(=NSN(C)C(=O)OC2=CC=CC3=C2OC(C3)(C)C)C(C)C)C#N

Isomeric SMILES

CCOC1=C(C=C(C=C1)S/C(=N/SN(C)C(=O)OC2=CC=CC3=C2OC(C3)(C)C)/C(C)C)C#N

InChI

InChI=1S/C25H29N3O4S2/c1-7-30-20-12-11-19(13-18(20)15-26)33-23(16(2)3)27-34-28(6)24(29)31-21-10-8-9-17-14-25(4,5)32-22(17)21/h8-13,16H,7,14H2,1-6H3/b27-23+