6-[5-(5-bromanyl-2-oxidanylidene-1-prop-2-enyl-3H-indol-3-yl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[5-(5-bromanyl-2-oxidanylidene-1-prop-2-enyl-3H-indol-3-yl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[5-(1-allyl-5-bromo-2-oxo-indolin-3-yl)-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[5-(5-bromo-2-oxo-1-prop-2-enyl-3H-indol-3-yl)-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[5-(5-bromo-2-oxo-1-prop-2-enyl-3H-indol-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[5-(1-allyl-5-bromo-2-keto-indolin-3-yl)-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C20H21BrN2O4S2 MolecularWeight: 497.42574

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)Br)C(C1=O)C3C(=O)N(C(=S)S3)CCCCCC(=O)O

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)Br)C(C1=O)C3C(=O)N(C(=S)S3)CCCCCC(=O)O

InChI

InChI=1S/C20H21BrN2O4S2/c1-2-9-22-14-8-7-12(21)11-13(14)16(18(22)26)17-19(27)23(20(28)29-17)10-5-3-4-6-15(24)25/h2,7-8,11,16-17H,1,3-6,9-10H2,(H,24,25)