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

Systemtic Name: 2-[(5Z)-5-(5-bromanyl-2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid; ethanoic acid Openeye Name: acetic acid; 2-[(5Z)-5-(1-allyl-5-bromo-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid CAS Name: acetic acid; 2-[(5Z)-5-(5-bromo-2-oxo-1-prop-2-enyl-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid IUPAC Name: acetic acid; 2-[(5Z)-5-(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Traditional Name: acetic acid; 2-[(5Z)-5-(1-allyl-5-bromo-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid Formula: C20H21BrN2O9S3 MolecularWeight: 609.48774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.C=CCN1C2=C(C=C(C=C2)Br)C(=C3C(=O)N(C(=S)S3)CCS(=O)(=O)O)C1=O

Isomeric SMILES

CC(=O)O.CC(=O)O.C=CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CCS(=O)(=O)O)/C1=O

InChI

InChI=1S/C16H13BrN2O5S3.2C2H4O2/c1-2-5-18-11-4-3-9(17)8-10(11)12(14(18)20)13-15(21)19(16(25)26-13)6-7-27(22,23)24;2*1-2(3)4/h2-4,8H,1,5-7H2,(H,22,23,24);2*1H3,(H,3,4)/b13-12-;;