diethyl 5-[2-[[4-(4-fluorophenyl)-5-[(2-phenoxyethanoylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[[4-(4-fluorophenyl)-5-[(2-phenoxyethanoylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2-[[4-(4-fluorophenyl)-5-[[(2-phenoxyacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[4-(4-fluorophenyl)-5-[[(1-oxo-2-phenoxyethyl)amino]methyl]-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-[[4-(4-fluorophenyl)-5-[[(2-phenoxyacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-[[4-(4-fluorophenyl)-5-[[(2-phenoxyacetyl)amino]methyl]-1,2,4-triazol-3-yl]thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C31H32FN5O7S2 MolecularWeight: 669.743483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NN=C(N2C3=CC=C(C=C3)F)CNC(=O)COC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NN=C(N2C3=CC=C(C=C3)F)CNC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C31H32FN5O7S2/c1-5-42-29(40)25-18(3)26(30(41)43-6-2)46-28(25)34-27(39)19(4)45-31-36-35-23(37(31)21-14-12-20(32)13-15-21)16-33-24(38)17-44-22-10-8-7-9-11-22/h7-15,19H,5-6,16-17H2,1-4H3,(H,33,38)(H,34,39)