(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[cyanomethyl-(4-methylphenyl)amino]sulfanyl-N-methyl-carbamate

Systemtic Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[cyanomethyl-(4-methylphenyl)amino]sulfanyl-N-methyl-carbamate Openeye Name: (2,2-dimethyl-3H-benzofuran-7-yl) N-[N-(cyanomethyl)-4-methyl-anilino]sulfanyl-N-methyl-carbamate CAS Name: N-[[N-(cyanomethyl)-4-methylanilino]thio]-N-methylcarbamic acid (2,2-dimethyl-3H-benzofuran-7-yl) ester IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[N-(cyanomethyl)-4-methylanilino]sulfanyl-N-methylcarbamate Traditional Name: N-[[N-(cyanomethyl)-4-methyl-anilino]thio]-N-methyl-carbamic acid (2,2-dimethylcoumaran-7-yl) ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-15-8-10-17(11-9-15)24(13-12-22)28-23(4)20(25)26-18-7-5-6-16-14-21(2,3)27-19(16)18/h5-11H,13-14H2,1-4H3