Molecule ID: 135886621

IUPAC Name: 3-[5-(5-chloro-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid

Description: The molecule is a member of the class of oxindoles that is 5-chloro-oxindole in which the methylene hydrogens at position 3 have been replaced by an N-(2-carboxyethyl)rhodanin-5-ylidene group. It has a role as an antineoplastic agent. It is a member of oxindoles, an organochlorine compound, a thiazolidinone and a monocarboxylic acid. It derives from a 3-methyleneoxindole and a rhodanine.

SMILES: O=C(O)CCn1c(O)c(C2=c3cc(Cl)ccc3=NC2=O)sc1=S

SELFIES: [O][=C][Branch1][C][O][C][C][N][C][Branch1][C][O][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][C][Ring1][#Branch2][=O][S][C][Ring1][P][=S]

InChI: InChI=1S/C14H9ClN2O4S2/c15-6-1-2-8-7(5-6)10(12(20)16-8)11-13(21)17(14(22)23-11)4-3-9(18)19/h1-2,5,21H,3-4H2,(H,18,19)

Molecular Properties:
- Polar Surface Area: 148.0 Ų
- LogP: 1.4