ethyl (2R)-2-[[1-[(2-chloranyl-5-methyl-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[1-[(2-chloranyl-5-methyl-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[1-[(2-chloro-5-methyl-phenoxy)methyl]pyrazole-3-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[1-[(2-chloro-5-methylphenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[1-[(2-chloro-5-methyl-phenoxy)methyl]pyrazole-3-carbonyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C17H20ClN3O4S MolecularWeight: 397.8764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O4S/c1-3-24-17(23)14(9-26)19-16(22)13-6-7-21(20-13)10-25-15-8-11(2)4-5-12(15)18/h4-8,14,26H,3,9-10H2,1-2H3,(H,19,22)/t14-/m0/s1