(5E)-5-(5-bromanyl-2-oxidanylidene-1-propyl-indol-3-ylidene)-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one; ethanoic acid

Systemtic Name: (5E)-5-(5-bromanyl-2-oxidanylidene-1-propyl-indol-3-ylidene)-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one; ethanoic acid Openeye Name: acetic acid; (5E)-5-(5-bromo-2-oxo-1-propyl-indolin-3-ylidene)-3-heptyl-2-thioxo-thiazolidin-4-one CAS Name: acetic acid; (5E)-5-(5-bromo-2-oxo-1-propyl-3-indolylidene)-3-heptyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: acetic acid; (5E)-5-(5-bromo-2-oxo-1-propylindol-3-ylidene)-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: acetic acid; (5E)-5-(5-bromo-2-keto-1-propyl-indolin-3-ylidene)-3-heptyl-2-thioxo-thiazolidin-4-one Formula: C23H29BrN2O4S2 MolecularWeight: 541.52136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C(=C2C3=C(C=CC(=C3)Br)N(C2=O)CCC)SC1=S.CC(=O)O

Isomeric SMILES

CCCCCCCN1C(=O)/C(=C\2/C3=C(C=CC(=C3)Br)N(C2=O)CCC)/SC1=S.CC(=O)O

InChI

InChI=1S/C21H25BrN2O2S2.C2H4O2/c1-3-5-6-7-8-12-24-20(26)18(28-21(24)27)17-15-13-14(22)9-10-16(15)23(11-4-2)19(17)25;1-2(3)4/h9-10,13H,3-8,11-12H2,1-2H3;1H3,(H,3,4)/b18-17+;