diethyl 5-[2-[[4-(4-fluorophenyl)-5-[[2-(4-methoxyphenyl)ethanoylamino]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-(4-methoxyphenyl)ethanoylamino]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-(4-methoxyphenyl)acetyl]amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[4-(4-fluorophenyl)-5-[[[2-(4-methoxyphenyl)-1-oxoethyl]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-(4-methoxyphenyl)acetyl]amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-[[4-(4-fluorophenyl)-5-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-1,2,4-triazol-3-yl]thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C32H34FN5O7S2 MolecularWeight: 683.770063

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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)CC4=CC=C(C=C4)OC

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)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C32H34FN5O7S2/c1-6-44-30(41)26-18(3)27(31(42)45-7-2)47-29(26)35-28(40)19(4)46-32-37-36-24(38(32)22-12-10-21(33)11-13-22)17-34-25(39)16-20-8-14-23(43-5)15-9-20/h8-15,19H,6-7,16-17H2,1-5H3,(H,34,39)(H,35,40)