2,2-diethyl-4-oxidanylidene-3-[[3-(quinolin-2-ylmethylsulfanyl)phenyl]amino]butanoic acid

Systemtic Name: 2,2-diethyl-4-oxidanylidene-3-[[3-(quinolin-2-ylmethylsulfanyl)phenyl]amino]butanoic acid Openeye Name: 2,2-diethyl-4-oxo-3-[3-(2-quinolylmethylsulfanyl)anilino]butanoic acid CAS Name: 2,2-diethyl-4-oxo-3-[3-(2-quinolinylmethylthio)anilino]butanoic acid IUPAC Name: 2,2-diethyl-4-oxo-3-[3-(quinolin-2-ylmethylsulfanyl)anilino]butanoic acid Traditional Name: 2,2-diethyl-4-keto-3-[3-(2-quinolylmethylthio)anilino]butyric acid Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(C=O)NC1=CC(=CC=C1)SCC2=NC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CCC(CC)(C(C=O)NC1=CC(=CC=C1)SCC2=NC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C24H26N2O3S/c1-3-24(4-2,23(28)29)22(15-27)26-18-9-7-10-20(14-18)30-16-19-13-12-17-8-5-6-11-21(17)25-19/h5-15,22,26H,3-4,16H2,1-2H3,(H,28,29)