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

Systemtic Name: 2-[(5E)-5-(5-bromanyl-2-oxidanylidene-1-pentyl-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid; ethanoic acid Openeye Name: acetic acid; 2-[(5E)-5-(5-bromo-2-oxo-1-pentyl-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid CAS Name: acetic acid; 2-[(5E)-5-(5-bromo-2-oxo-1-pentyl-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid IUPAC Name: acetic acid; 2-[(5E)-5-(5-bromo-2-oxo-1-pentylindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Traditional Name: acetic acid; 2-[(5E)-5-(1-amyl-5-bromo-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid Formula: C20H23BrN2O7S3 MolecularWeight: 579.50482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)Br)C(=C3C(=O)N(C(=S)S3)CCS(=O)(=O)O)C1=O.CC(=O)O

Isomeric SMILES

CCCCCN1C2=C(C=C(C=C2)Br)/C(=C\3/C(=O)N(C(=S)S3)CCS(=O)(=O)O)/C1=O.CC(=O)O

InChI

InChI=1S/C18H19BrN2O5S3.C2H4O2/c1-2-3-4-7-20-13-6-5-11(19)10-12(13)14(16(20)22)15-17(23)21(18(27)28-15)8-9-29(24,25)26;1-2(3)4/h5-6,10H,2-4,7-9H2,1H3,(H,24,25,26);1H3,(H,3,4)/b15-14+;