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

Systemtic Name: 11-[(5E)-5-(5-bromanyl-2-oxidanylidene-1-pentyl-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Openeye Name: 11-[(5E)-5-(5-bromo-2-oxo-1-pentyl-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]undecanoic acid CAS Name: 11-[(5E)-5-(5-bromo-2-oxo-1-pentyl-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]undecanoic acid IUPAC Name: 11-[(5E)-5-(5-bromo-2-oxo-1-pentylindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Traditional Name: 11-[(5E)-5-(1-amyl-5-bromo-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]undecanoic acid Formula: C27H35BrN2O4S2 MolecularWeight: 595.6118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)Br)C(=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C1=O

Isomeric SMILES

CCCCCN1C2=C(C=C(C=C2)Br)/C(=C\3/C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)/C1=O

InChI

InChI=1S/C27H35BrN2O4S2/c1-2-3-11-16-29-21-15-14-19(28)18-20(21)23(25(29)33)24-26(34)30(27(35)36-24)17-12-9-7-5-4-6-8-10-13-22(31)32/h14-15,18H,2-13,16-17H2,1H3,(H,31,32)/b24-23+