ethyl 4-[2-[(3E)-2-oxidanylidene-1-pentyl-3-(phenylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoate

Systemtic Name: ethyl 4-[2-[(3E)-2-oxidanylidene-1-pentyl-3-(phenylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoate Openeye Name: ethyl 4-[2-[(3E)-2-oxo-1-pentyl-3-(phenylcarbamoylhydrazono)indolin-5-yl]sulfanylethyl]benzoate CAS Name: 4-[2-[[(3E)-3-[[anilino(oxo)methyl]hydrazinylidene]-2-oxo-1-pentyl-5-indolyl]thio]ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3E)-2-oxo-1-pentyl-3-(phenylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoate Traditional Name: 4-[2-[[(3E)-1-amyl-2-keto-3-(phenylcarbamoylhydrazono)indolin-5-yl]thio]ethyl]benzoic acid ethyl ester Formula: C31H34N4O4S MolecularWeight: 558.69106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)OCC)C(=NNC(=O)NC4=CC=CC=C4)C1=O

Isomeric SMILES

CCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)OCC)/C(=N\NC(=O)NC4=CC=CC=C4)/C1=O

InChI

InChI=1S/C31H34N4O4S/c1-3-5-9-19-35-27-17-16-25(40-20-18-22-12-14-23(15-13-22)30(37)39-4-2)21-26(27)28(29(35)36)33-34-31(38)32-24-10-7-6-8-11-24/h6-8,10-17,21H,3-5,9,18-20H2,1-2H3,(H2,32,34,38)/b33-28+