4-azanyl-2-[(2,4-dichlorophenyl)methylsulfanylmethyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(2,4-dichlorophenyl)methylsulfanylmethyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(2,4-dichlorophenyl)methylsulfanylmethyl]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(2,4-dichlorophenyl)methylthio]methyl]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(2,4-dichlorophenyl)methylsulfanylmethyl]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[(2,4-dichlorobenzyl)thio]methyl]-4-keto-butyric acid Formula: C12H13Cl2NO3S MolecularWeight: 322.20752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CSCC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CSCC(CC(=O)N)C(=O)O

InChI

InChI=1S/C12H13Cl2NO3S/c13-9-2-1-7(10(14)4-9)5-19-6-8(12(17)18)3-11(15)16/h1-2,4,8H,3,5-6H2,(H2,15,16)(H,17,18)