methyl 2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]propanoate CAS Name: 2-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]propionic acid methyl ester Formula: C16H20ClN3O4S2 MolecularWeight: 417.9307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC)Cl)C

InChI

InChI=1S/C16H20ClN3O4S2/c1-11-14(15(17)20(2)18-11)26(22,23)19-13(16(21)24-3)10-25-9-12-7-5-4-6-8-12/h4-8,13,19H,9-10H2,1-3H3