(5E)-5-[5-bromanyl-2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one; ethanoic acid

Systemtic Name: (5E)-5-[5-bromanyl-2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one; ethanoic acid Openeye Name: acetic acid; (5E)-5-(1-benzyl-5-bromo-2-oxo-indolin-3-ylidene)-3-octyl-2-thioxo-thiazolidin-4-one CAS Name: acetic acid; (5E)-5-[5-bromo-2-oxo-1-(phenylmethyl)-3-indolylidene]-3-octyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: acetic acid; (5E)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: acetic acid; (5E)-5-(1-benzyl-5-bromo-2-keto-indolin-3-ylidene)-3-octyl-2-thioxo-thiazolidin-4-one Formula: C28H31BrN2O4S2 MolecularWeight: 603.59074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C(=C2C3=C(C=CC(=C3)Br)N(C2=O)CC4=CC=CC=C4)SC1=S.CC(=O)O

Isomeric SMILES

CCCCCCCCN1C(=O)/C(=C\2/C3=C(C=CC(=C3)Br)N(C2=O)CC4=CC=CC=C4)/SC1=S.CC(=O)O

InChI

InChI=1S/C26H27BrN2O2S2.C2H4O2/c1-2-3-4-5-6-10-15-28-25(31)23(33-26(28)32)22-20-16-19(27)13-14-21(20)29(24(22)30)17-18-11-8-7-9-12-18;1-2(3)4/h7-9,11-14,16H,2-6,10,15,17H2,1H3;1H3,(H,3,4)/b23-22+;