3-pentan-3-yl-5-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]thiophene-2,4-dicarboxylic acid

Systemtic Name: 3-pentan-3-yl-5-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]thiophene-2,4-dicarboxylic acid Openeye Name: 3-(1-ethylpropyl)-5-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylic acid CAS Name: 5-[[1-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]ethyl]amino]-3-pentan-3-ylthiophene-2,4-dicarboxylic acid IUPAC Name: 3-pentan-3-yl-5-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylic acid Traditional Name: 3-(1-ethylpropyl)-5-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]acetyl]amino]thiophene-2,4-dicarboxylic acid Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C(SC(=C1C(=O)O)NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(CC)C1=C(SC(=C1C(=O)O)NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H21N3O6S2/c1-3-11(4-2)14-15(19(26)27)18(32-16(14)20(28)29)22-13(25)10-31-21-24-23-17(30-21)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,22,25)(H,26,27)(H,28,29)