4-[2-[(3E)-2-oxidanylidene-1-pentyl-3-(1,3-thiazol-2-ylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoic acid

Systemtic Name: 4-[2-[(3E)-2-oxidanylidene-1-pentyl-3-(1,3-thiazol-2-ylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoic acid Openeye Name: 4-[2-[(3E)-2-oxo-1-pentyl-3-(thiazol-2-ylcarbamoylhydrazono)indolin-5-yl]sulfanylethyl]benzoic acid CAS Name: 4-[2-[[(3E)-2-oxo-3-[[oxo-(2-thiazolylamino)methyl]hydrazinylidene]-1-pentyl-5-indolyl]thio]ethyl]benzoic acid IUPAC Name: 4-[2-[(3E)-2-oxo-1-pentyl-3-(1,3-thiazol-2-ylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoic acid Traditional Name: 4-[2-[[(3E)-1-amyl-2-keto-3-(thiazol-2-ylcarbamoylhydrazono)indolin-5-yl]thio]ethyl]benzoic acid Formula: C26H27N5O4S2 MolecularWeight: 537.65368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)C(=NNC(=O)NC4=NC=CS4)C1=O

Isomeric SMILES

CCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)/C(=N\NC(=O)NC4=NC=CS4)/C1=O

InChI

InChI=1S/C26H27N5O4S2/c1-2-3-4-13-31-21-10-9-19(36-14-11-17-5-7-18(8-6-17)24(33)34)16-20(21)22(23(31)32)29-30-25(35)28-26-27-12-15-37-26/h5-10,12,15-16H,2-4,11,13-14H2,1H3,(H,33,34)(H2,27,28,30,35)/b29-22+