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

Systemtic Name: methyl 2-[[5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furoyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Br)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Br)C)C(=O)OC

InChI

InChI=1S/C18H18BrN3O4S/c1-9-7-13(18(24)25-4)17(27-9)20-16(23)14-6-5-12(26-14)8-22-11(3)15(19)10(2)21-22/h5-7H,8H2,1-4H3,(H,20,23)