ethyl 5-ethyl-2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[4-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H25FN2O5S2 MolecularWeight: 456.551303

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OCC

InChI

InChI=1S/C20H25FN2O5S2/c1-4-15-13-17(20(25)28-5-2)19(29-15)22-18(24)7-6-12-23(3)30(26,27)16-10-8-14(21)9-11-16/h8-11,13H,4-7,12H2,1-3H3,(H,22,24)