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

Systemtic Name: methyl 2-[2-(4-bromanyl-3-methyl-pyrazol-1-yl)ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromo-3-methyl-pyrazol-1-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-3-methyl-1-pyrazolyl)-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-3-methyl-pyrazol-1-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C13H14BrN3O3S MolecularWeight: 372.23756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrN3O3S/c1-7-4-9(13(19)20-3)12(21-7)15-11(18)6-17-5-10(14)8(2)16-17/h4-5H,6H2,1-3H3,(H,15,18)