6-[(5E)-5-(5-bromanyl-1-butyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

Systemtic Name: 6-[(5E)-5-(5-bromanyl-1-butyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: 6-[(5E)-5-(5-bromo-1-butyl-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoate CAS Name: 6-[(5E)-5-(5-bromo-1-butyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoate IUPAC Name: 6-[(5E)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 6-[(5E)-5-(5-bromo-1-butyl-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]hexanoate Formula: C21H22BrN2O4S2- MolecularWeight: 510.44438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)Br)C(=C3C(=O)N(C(=S)S3)CCCCCC(=O)[O-])C1=O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)Br)/C(=C\3/C(=O)N(C(=S)S3)CCCCCC(=O)[O-])/C1=O

InChI

InChI=1S/C21H23BrN2O4S2/c1-2-3-10-23-15-9-8-13(22)12-14(15)17(19(23)27)18-20(28)24(21(29)30-18)11-6-4-5-7-16(25)26/h8-9,12H,2-7,10-11H2,1H3,(H,25,26)/p-1/b18-17+