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

Systemtic Name: methyl 2-[[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H20BrN3O3S MolecularWeight: 414.3173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C(C)CN2C(=C(C(=N2)C)Br)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C(C)CN2C(=C(C(=N2)C)Br)C)C(=O)OC

InChI

InChI=1S/C16H20BrN3O3S/c1-8(7-20-11(4)13(17)10(3)19-20)14(21)18-15-12(16(22)23-5)6-9(2)24-15/h6,8H,7H2,1-5H3,(H,18,21)