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

Systemtic Name: methyl 2-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H16BrN3O3S MolecularWeight: 386.26414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN3O3S/c1-7-5-10(14(20)21-4)13(22-7)16-11(19)6-18-9(3)12(15)8(2)17-18/h5H,6H2,1-4H3,(H,16,19)