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

Systemtic Name: phenyl (1Z)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-2-methyl-propanimidothioate Openeye Name: phenyl (1Z)-N-[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-2-methyl-propanimidothioate CAS Name: (1Z)-N-[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-2-methylpropanimidothioic acid phenyl ester IUPAC Name: phenyl (1Z)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-2-methylpropanimidothioate Traditional Name: (1Z)-N-[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-2-methyl-thiopropionimidic acid phenyl ester Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=NSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C)SC3=CC=CC=C3

Isomeric SMILES

CC(C)/C(=N/SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C)/SC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3S2/c1-15(2)20(28-17-11-7-6-8-12-17)23-29-24(5)21(25)26-18-13-9-10-16-14-22(3,4)27-19(16)18/h6-13,15H,14H2,1-5H3/b23-20-