(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[bis(cyanomethyl)amino]sulfanyl-N-methyl-carbamate

Systemtic Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[bis(cyanomethyl)amino]sulfanyl-N-methyl-carbamate Openeye Name: (2,2-dimethyl-3H-benzofuran-7-yl) N-[bis(cyanomethyl)amino]sulfanyl-N-methyl-carbamate CAS Name: N-[[bis(cyanomethyl)amino]thio]-N-methylcarbamic acid (2,2-dimethyl-3H-benzofuran-7-yl) ester IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[bis(cyanomethyl)amino]sulfanyl-N-methylcarbamate Traditional Name: N-[[bis(cyanomethyl)amino]thio]-N-methyl-carbamic acid (2,2-dimethylcoumaran-7-yl) ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SN(CC#N)CC#N)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SN(CC#N)CC#N)C

InChI

InChI=1S/C16H18N4O3S/c1-16(2)11-12-5-4-6-13(14(12)23-16)22-15(21)19(3)24-20(9-7-17)10-8-18/h4-6H,9-11H2,1-3H3