methyl 2-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-bromo-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]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)C(C)CN2C=C(C=N2)Br)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN3O3S/c1-8(6-18-7-10(15)5-16-18)12(19)17-13-11(14(20)21-3)4-9(2)22-13/h4-5,7-8H,6H2,1-3H3,(H,17,19)