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

Systemtic Name: ethyl N-(2-cyanoethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-carbamate Openeye Name: ethyl N-(2-cyanoethyl)-N-[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-carbamate CAS Name: N-(2-cyanoethyl)-N-[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]carbamic acid ethyl ester IUPAC Name: ethyl N-(2-cyanoethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylcarbamate Traditional Name: N-[[carbethoxy(2-cyanoethyl)amino]thio]-N-methyl-carbamic acid (2,2-dimethylcoumaran-7-yl) ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S/c1-5-24-17(23)21(11-7-10-19)27-20(4)16(22)25-14-9-6-8-13-12-18(2,3)26-15(13)14/h6,8-9H,5,7,11-12H2,1-4H3