ethyl 5-[4-(4-fluorophenyl)sulfonylbutanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[4-(4-fluorophenyl)sulfonylbutanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(4-fluorophenyl)sulfonylbutanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[4-(4-fluorophenyl)sulfonyl-1-oxobutyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(4-fluorophenyl)sulfonylbutanoylamino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[4-(4-fluorophenyl)sulfonylbutanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C19H19FN2O5S3 MolecularWeight: 470.557963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)F)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)F)SC#N)C

InChI

InChI=1S/C19H19FN2O5S3/c1-3-27-19(24)17-12(2)16(28-11-21)18(29-17)22-15(23)5-4-10-30(25,26)14-8-6-13(20)7-9-14/h6-9H,3-5,10H2,1-2H3,(H,22,23)