methyl (1Z)-N-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-methyl-carbamoyl]oxyethanimidothioate

Systemtic Name: methyl (1Z)-N-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-methyl-carbamoyl]oxyethanimidothioate Openeye Name: methyl (1Z)-N-[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-methyl-carbamoyl]oxyethanimidothioate CAS Name: (1Z)-N-[[[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-methylamino]-oxomethoxy]ethanimidothioic acid methyl ester IUPAC Name: methyl (1Z)-N-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-methylcarbamoyl]oxyethanimidothioate Traditional Name: (1Z)-N-[[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-methyl-carbamoyl]oxythioacetimidic acid methyl ester Formula: C17H23N3O5S2 MolecularWeight: 413.51162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C)SC

Isomeric SMILES

C/C(=N/OC(=O)N(C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C)/SC

InChI

InChI=1S/C17H23N3O5S2/c1-11(26-6)18-25-16(22)20(5)27-19(4)15(21)23-13-9-7-8-12-10-17(2,3)24-14(12)13/h7-9H,10H2,1-6H3/b18-11-