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

Systemtic Name: dimethyl 5-[[5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furoyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H20BrN3O6S MolecularWeight: 510.3583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Br)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Br)C)C(=O)OC

InChI

InChI=1S/C20H20BrN3O6S/c1-9-14(19(26)28-4)18(31-16(9)20(27)29-5)22-17(25)13-7-6-12(30-13)8-24-11(3)15(21)10(2)23-24/h6-7H,8H2,1-5H3,(H,22,25)