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

Systemtic Name: methyl 5-aminocarbonyl-2-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H19BrN4O4S MolecularWeight: 443.31546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C(=C(C(=N2)C)Br)C)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C(=C(C(=N2)C)Br)C)C(=O)N

InChI

InChI=1S/C16H19BrN4O4S/c1-7-11(16(24)25-4)15(26-13(7)14(18)23)19-10(22)5-6-21-9(3)12(17)8(2)20-21/h5-6H2,1-4H3,(H2,18,23)(H,19,22)