O4-ethyl O2-propan-2-yl 5-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-propan-2-yl 5-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 5-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-propan-2-yl ester IUPAC Name: 4-O-ethyl 2-O-propan-2-yl 5-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester Formula: C21H23NO7S MolecularWeight: 433.47482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)C)NC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)C)NC(=O)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C21H23NO7S/c1-5-26-20(24)16-12(4)17(21(25)28-11(2)3)30-19(16)22-18(23)15-10-27-13-8-6-7-9-14(13)29-15/h6-9,11,15H,5,10H2,1-4H3,(H,22,23)