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

Systemtic Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[2-cyanoethyl(octyl)amino]sulfanyl-N-methyl-carbamate Openeye Name: (2,2-dimethyl-3H-benzofuran-7-yl) N-[2-cyanoethyl(octyl)amino]sulfanyl-N-methyl-carbamate CAS Name: N-[[2-cyanoethyl(octyl)amino]thio]-N-methylcarbamic acid (2,2-dimethyl-3H-benzofuran-7-yl) ester IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[2-cyanoethyl(octyl)amino]sulfanyl-N-methylcarbamate Traditional Name: N-[[2-cyanoethyl(octyl)amino]thio]-N-methyl-carbamic acid (2,2-dimethylcoumaran-7-yl) ester Formula: C23H35N3O3S MolecularWeight: 433.6073

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCC#N)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

Isomeric SMILES

CCCCCCCCN(CCC#N)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

InChI

InChI=1S/C23H35N3O3S/c1-5-6-7-8-9-10-16-26(17-12-15-24)30-25(4)22(27)28-20-14-11-13-19-18-23(2,3)29-21(19)20/h11,13-14H,5-10,12,16-18H2,1-4H3