3-[(5Z)-5-(5-bromanyl-1-ethyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Systemtic Name: 3-[(5Z)-5-(5-bromanyl-1-ethyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[(5Z)-5-(5-bromo-1-ethyl-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5Z)-5-(5-bromo-1-ethyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5Z)-5-(5-bromo-1-ethyl-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C16H13BrN2O4S2 MolecularWeight: 441.31942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CCC(=O)O)/C1=O

InChI

InChI=1S/C16H13BrN2O4S2/c1-2-18-10-4-3-8(17)7-9(10)12(14(18)22)13-15(23)19(16(24)25-13)6-5-11(20)21/h3-4,7H,2,5-6H2,1H3,(H,20,21)/b13-12-