(3,5-dimethylphenyl) (1E)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanylethanimidate

Systemtic Name: (3,5-dimethylphenyl) (1E)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanylethanimidate Openeye Name: (3,5-dimethylphenyl) (1E)-N-[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanylethanimidate CAS Name: (1E)-N-[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]ethanimidic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) (1E)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylethanimidate Traditional Name: (1E)-N-[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]acetimidic acid (3,5-dimethylphenyl) ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=NSN(C)C(=O)OC2=CC=CC3=C2OC(C3)(C)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)O/C(=N/SN(C)C(=O)OC2=CC=CC3=C2OC(C3)(C)C)/C)C

InChI

InChI=1S/C22H26N2O4S/c1-14-10-15(2)12-18(11-14)26-16(3)23-29-24(6)21(25)27-19-9-7-8-17-13-22(4,5)28-20(17)19/h7-12H,13H2,1-6H3/b23-16+