methyl 5-fluoranyl-4-isothiocyanatosulfonyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-fluoranyl-4-isothiocyanatosulfonyl-thiophene-3-carboxylate Openeye Name: methyl 5-fluoro-4-isothiocyanatosulfonyl-thiophene-3-carboxylate CAS Name: 5-fluoro-4-isothiocyanatosulfonyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-fluoro-4-isothiocyanatosulfonylthiophene-3-carboxylate Traditional Name: 5-fluoro-4-isothiocyanatosulfonyl-thiophene-3-carboxylic acid methyl ester Formula: C7H4FNO4S3 MolecularWeight: 281.304363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1S(=O)(=O)N=C=S)F

Isomeric SMILES

COC(=O)C1=CSC(=C1S(=O)(=O)N=C=S)F

InChI

InChI=1S/C7H4FNO4S3/c1-13-7(10)4-2-15-6(8)5(4)16(11,12)9-3-14/h2H,1H3