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

Systemtic Name: methyl 2-[[(2S)-2-(4-bromanyl-5-methyl-pyrazol-1-yl)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[(2S)-2-(4-bromo-5-methyl-pyrazol-1-yl)propanoyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[(2S)-2-(4-bromo-5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-(4-bromo-5-methylpyrazol-1-yl)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[(2S)-2-(4-bromo-5-methyl-pyrazol-1-yl)propanoyl]amino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C13H15BrN4O3S MolecularWeight: 387.2522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C(C)N2C(=C(C=N2)Br)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)[C@H](C)N2C(=C(C=N2)Br)C)C(=O)OC

InChI

InChI=1S/C13H15BrN4O3S/c1-6-10(12(20)21-4)22-13(16-6)17-11(19)8(3)18-7(2)9(14)5-15-18/h5,8H,1-4H3,(H,16,17,19)/t8-/m0/s1