[2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylsulfonylamino)butanoate

Systemtic Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylsulfonylamino)butanoate Openeye Name: [2-(3-methylbenzofuran-2-yl)-2-oxo-ethyl] 4-(2-thienylsulfonylamino)butanoate CAS Name: 4-(thiophen-2-ylsulfonylamino)butanoic acid [2-(3-methyl-2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)butanoate Traditional Name: 4-(2-thienylsulfonylamino)butyric acid [2-keto-2-(3-methylbenzofuran-2-yl)ethyl] ester Formula: C19H19NO6S2 MolecularWeight: 421.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)COC(=O)CCCNS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)COC(=O)CCCNS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H19NO6S2/c1-13-14-6-2-3-7-16(14)26-19(13)15(21)12-25-17(22)8-4-10-20-28(23,24)18-9-5-11-27-18/h2-3,5-7,9,11,20H,4,8,10,12H2,1H3