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

Systemtic Name: dimethyl 5-[[5-[(4-iodanylphenoxy)methyl]furan-2-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[5-[(4-iodophenoxy)methyl]furan-2-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[5-[(4-iodophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-[(4-iodophenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[5-[(4-iodophenoxy)methyl]-2-furoyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H18INO7S MolecularWeight: 555.33959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18INO7S/c1-11-16(20(25)27-2)19(31-17(11)21(26)28-3)23-18(24)15-9-8-14(30-15)10-29-13-6-4-12(22)5-7-13/h4-9H,10H2,1-3H3,(H,23,24)