dimethyl 5-[[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[5-(1,3-benzodioxol-5-yloxymethyl)-2-furanyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[5-(1,3-benzodioxol-5-yloxymethyl)-2-furoyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H19NO9S MolecularWeight: 473.45256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(O2)COC3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(O2)COC3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C22H19NO9S/c1-11-17(21(25)27-2)20(33-18(11)22(26)28-3)23-19(24)15-7-5-13(32-15)9-29-12-4-6-14-16(8-12)31-10-30-14/h4-8H,9-10H2,1-3H3,(H,23,24)