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

Systemtic Name: 4-[(5E)-5-(5-bromanyl-2-oxidanylidene-1-pentyl-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5E)-5-(5-bromo-2-oxo-1-pentyl-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5E)-5-(5-bromo-2-oxo-1-pentyl-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5E)-5-(5-bromo-2-oxo-1-pentylindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5E)-5-(1-amyl-5-bromo-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C20H21BrN2O4S2 MolecularWeight: 497.42574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O4S2/c1-2-3-4-9-22-14-8-7-12(21)11-13(14)16(18(22)26)17-19(27)23(20(28)29-17)10-5-6-15(24)25/h7-8,11H,2-6,9-10H2,1H3,(H,24,25)/b17-16+