3-[2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[2-(2,4-dichlorophenyl)pentylamino]-2-keto-ethyl]thio]propionic acid Formula: C16H21Cl2NO3S MolecularWeight: 378.31384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC(=O)CSCCC(=O)O)C1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

CCCC(CNC(=O)CSCCC(=O)O)C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C16H21Cl2NO3S/c1-2-3-11(13-5-4-12(17)8-14(13)18)9-19-15(20)10-23-7-6-16(21)22/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H,19,20)(H,21,22)