2-azanyl-3-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]thio]propionic acid Formula: C11H12ClFN2O3S MolecularWeight: 306.740983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSCC(C(=O)O)N)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSCC(C(=O)O)N)Cl)F

InChI

InChI=1S/C11H12ClFN2O3S/c12-7-3-6(1-2-8(7)13)15-10(16)5-19-4-9(14)11(17)18/h1-3,9H,4-5,14H2,(H,15,16)(H,17,18)