ethyl (2R)-2-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C15H16FN3O3S MolecularWeight: 337.369243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=CC(=NN1)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=CC(=NN1)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H16FN3O3S/c1-2-22-15(21)13(8-23)17-14(20)12-7-11(18-19-12)9-3-5-10(16)6-4-9/h3-7,13,23H,2,8H2,1H3,(H,17,20)(H,18,19)/t13-/m0/s1