ethyl 3-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylcarbamothioylamino]propanoate

Systemtic Name: ethyl 3-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylcarbamothioylamino]propanoate Openeye Name: ethyl 3-[(2,2,4,6,7-pentamethyl-3H-benzofuran-5-yl)sulfonylcarbamothioylamino]propanoate CAS Name: 3-[[[(2,2,4,6,7-pentamethyl-3H-benzofuran-5-yl)sulfonylamino]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylcarbamothioylamino]propanoate Traditional Name: 3-[(2,2,4,6,7-pentamethylcoumaran-5-yl)sulfonylthiocarbamoylamino]propionic acid ethyl ester Formula: C19H28N2O5S2 MolecularWeight: 428.56602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)NS(=O)(=O)C1=C(C(=C2C(=C1C)CC(O2)(C)C)C)C

Isomeric SMILES

CCOC(=O)CCNC(=S)NS(=O)(=O)C1=C(C(=C2C(=C1C)CC(O2)(C)C)C)C

InChI

InChI=1S/C19H28N2O5S2/c1-7-25-15(22)8-9-20-18(27)21-28(23,24)17-12(3)11(2)16-14(13(17)4)10-19(5,6)26-16/h7-10H2,1-6H3,(H2,20,21,27)