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

Systemtic Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate Openeye Name: [2-(3-methylbenzofuran-2-yl)-2-oxo-ethyl] 4-[methyl(2-thienylsulfonyl)amino]butanoate CAS Name: 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoic acid [2-(3-methyl-2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate Traditional Name: 4-[methyl(2-thienylsulfonyl)amino]butyric acid [2-keto-2-(3-methylbenzofuran-2-yl)ethyl] ester Formula: C20H21NO6S2 MolecularWeight: 435.51384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6S2/c1-14-15-7-3-4-8-17(15)27-20(14)16(22)13-26-18(23)9-5-11-21(2)29(24,25)19-10-6-12-28-19/h3-4,6-8,10,12H,5,9,11,13H2,1-2H3