11-[(5E)-5-(5-bromanyl-1-butyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Systemtic Name: 11-[(5E)-5-(5-bromanyl-1-butyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Openeye Name: 11-[(5E)-5-(5-bromo-1-butyl-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]undecanoic acid CAS Name: 11-[(5E)-5-(5-bromo-1-butyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]undecanoic acid IUPAC Name: 11-[(5E)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Traditional Name: 11-[(5E)-5-(5-bromo-1-butyl-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]undecanoic acid Formula: C26H33BrN2O4S2 MolecularWeight: 581.58522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)Br)C(=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C1=O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)Br)/C(=C\3/C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)/C1=O

InChI

InChI=1S/C26H33BrN2O4S2/c1-2-3-15-28-20-14-13-18(27)17-19(20)22(24(28)32)23-25(33)29(26(34)35-23)16-11-9-7-5-4-6-8-10-12-21(30)31/h13-14,17H,2-12,15-16H2,1H3,(H,30,31)/b23-22+