ethyl 5-[[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[[1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[[1-(4-fluorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[[1-(4-fluorophenyl)sulfonylprolyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C20H20FN3O5S3 MolecularWeight: 497.583303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F)SC#N)C

InChI

InChI=1S/C20H20FN3O5S3/c1-3-29-20(26)17-12(2)16(30-11-22)19(31-17)23-18(25)15-5-4-10-24(15)32(27,28)14-8-6-13(21)7-9-14/h6-9,15H,3-5,10H2,1-2H3,(H,23,25)