ethyl 3-azanyl-4-(4-fluorophenyl)sulfonyl-5-methylsulfanyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3-azanyl-4-(4-fluorophenyl)sulfonyl-5-methylsulfanyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3-amino-4-(4-fluorophenyl)sulfonyl-5-methylsulfanyl-1H-pyrrole-2-carboxylate CAS Name: 3-amino-4-(4-fluorophenyl)sulfonyl-5-(methylthio)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-(4-fluorophenyl)sulfonyl-5-methylsulfanyl-1H-pyrrole-2-carboxylate Traditional Name: 3-amino-4-(4-fluorophenyl)sulfonyl-5-(methylthio)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C14H15FN2O4S2 MolecularWeight: 358.408303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)SC)S(=O)(=O)C2=CC=C(C=C2)F)N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)SC)S(=O)(=O)C2=CC=C(C=C2)F)N

InChI

InChI=1S/C14H15FN2O4S2/c1-3-21-14(18)11-10(16)12(13(17-11)22-2)23(19,20)9-6-4-8(15)5-7-9/h4-7,17H,3,16H2,1-2H3