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

Systemtic Name: ethyl 2-[2-cyanoethyl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-amino]ethanoate Openeye Name: ethyl 2-[2-cyanoethyl-[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-amino]acetate CAS Name: 2-[2-cyanoethyl-[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-cyanoethyl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate Traditional Name: 2-[2-cyanoethyl-[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]amino]acetic acid ethyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5S/c1-5-25-16(23)13-22(11-7-10-20)28-21(4)18(24)26-15-9-6-8-14-12-19(2,3)27-17(14)15/h6,8-9H,5,7,11-13H2,1-4H3