11-[(5Z)-5-[[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Systemtic Name: 11-[(5Z)-5-[[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Openeye Name: 11-[(5Z)-5-[[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]undecanoic acid CAS Name: 11-[(5Z)-5-[[3-(2-methyl-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]undecanoic acid IUPAC Name: 11-[(5Z)-5-[[3-(2-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Traditional Name: 11-[(5Z)-4-keto-5-[[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]undecanoic acid Formula: C34H41N3O4S2 MolecularWeight: 619.83704

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C4=CC=CC=C4)C

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C4=CC=CC=C4)C

InChI

InChI=1S/C34H41N3O4S2/c1-3-21-41-28-18-19-29(25(2)22-28)32-26(24-37(35-32)27-15-11-10-12-16-27)23-30-33(40)36(34(42)43-30)20-14-9-7-5-4-6-8-13-17-31(38)39/h10-12,15-16,18-19,22-24H,3-9,13-14,17,20-21H2,1-2H3,(H,38,39)/b30-23-