3-[4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]prop-2-ynyl N-methyl-N-oxidanyl-carbamodithioate

Systemtic Name: 3-[4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]prop-2-ynyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[4-(3-fluoro-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)oxazol-2-yl]prop-2-ynyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[4-(3-fluoro-4-methoxyphenyl)-5-(4-sulfamoylphenyl)-2-oxazolyl]prop-2-ynyl ester IUPAC Name: 3-[4-(3-fluoro-4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]prop-2-ynyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid 3-[4-(3-fluoro-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)oxazol-2-yl]prop-2-ynyl ester Formula: C21H18FN3O5S3 MolecularWeight: 507.578123

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)SCC#CC1=NC(=C(O1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=C(C=C3)OC)F)O

Isomeric SMILES

CN(C(=S)SCC#CC1=NC(=C(O1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=C(C=C3)OC)F)O

InChI

InChI=1S/C21H18FN3O5S3/c1-25(26)21(31)32-11-3-4-18-24-19(14-7-10-17(29-2)16(22)12-14)20(30-18)13-5-8-15(9-6-13)33(23,27)28/h5-10,12,26H,11H2,1-2H3,(H2,23,27,28)