methyl 2-[(5-fluoranyl-2-methyl-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[(5-fluoranyl-2-methyl-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(5-fluoro-2-methyl-phenyl)sulfonylamino]propanoate CAS Name: 2-[(5-fluoro-2-methylphenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(5-fluoro-2-methyl-phenyl)sulfonylamino]propionic acid methyl ester Formula: C18H20FNO4S2 MolecularWeight: 397.484103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)F)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H20FNO4S2/c1-13-8-9-15(19)10-17(13)26(22,23)20-16(18(21)24-2)12-25-11-14-6-4-3-5-7-14/h3-10,16,20H,11-12H2,1-2H3