ethyl (2R)-2-[[1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[1-[(2-bromo-4-chloro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[1-[(2-bromo-4-chlorophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[1-[(2-bromo-4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[1-[(2-bromo-4-chloro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C16H17BrClN3O4S MolecularWeight: 462.74588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)Cl)Br

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)Cl)Br

InChI

InChI=1S/C16H17BrClN3O4S/c1-2-24-16(23)13(8-26)19-15(22)12-5-6-21(20-12)9-25-14-4-3-10(18)7-11(14)17/h3-7,13,26H,2,8-9H2,1H3,(H,19,22)/t13-/m0/s1