ethyl (2R)-2-[[1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C15H20BrN5O3S MolecularWeight: 430.32

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=NN(C=C1)CN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=NN(C=C1)CN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C15H20BrN5O3S/c1-4-24-15(23)12(7-25)17-14(22)11-5-6-20(19-11)8-21-10(3)13(16)9(2)18-21/h5-6,12,25H,4,7-8H2,1-3H3,(H,17,22)/t12-/m0/s1