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

Systemtic Name: ethyl (2R)-2-[[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C15H15Cl2N3O3S MolecularWeight: 388.2689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15Cl2N3O3S/c1-2-23-15(22)13(7-24)18-14(21)12-6-11(19-20-12)9-4-3-8(16)5-10(9)17/h3-6,13,24H,2,7H2,1H3,(H,18,21)(H,19,20)/t13-/m0/s1