methyl 4-(4-fluorophenyl)-3-isothiocyanato-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-(4-fluorophenyl)-3-isothiocyanato-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-(4-fluorophenyl)-3-isothiocyanato-1H-pyrrole-2-carboxylate CAS Name: 4-(4-fluorophenyl)-3-isothiocyanato-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-3-isothiocyanato-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-fluorophenyl)-3-isothiocyanato-1H-pyrrole-2-carboxylic acid methyl ester Formula: C13H9FN2O2S MolecularWeight: 276.286163

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)C2=CC=C(C=C2)F)N=C=S

Isomeric SMILES

COC(=O)C1=C(C(=CN1)C2=CC=C(C=C2)F)N=C=S

InChI

InChI=1S/C13H9FN2O2S/c1-18-13(17)12-11(16-7-19)10(6-15-12)8-2-4-9(14)5-3-8/h2-6,15H,1H3