2-azanyl-3-[2-[4-(carboxymethyloxy)-2,3-bis(chloranyl)phenyl]carbonylbutylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-[4-(carboxymethyloxy)-2,3-bis(chloranyl)phenyl]carbonylbutylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[2-[4-(carboxymethyloxy)-2,3-dichloro-benzoyl]butylsulfanyl]propanoic acid CAS Name: 2-amino-3-[2-[[4-(carboxymethyloxy)-2,3-dichlorophenyl]-oxomethyl]butylthio]propanoic acid IUPAC Name: 2-amino-3-[2-[4-(carboxymethyloxy)-2,3-dichlorobenzoyl]butylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[2-[4-(carboxymethyloxy)-2,3-dichloro-benzoyl]butylthio]propionic acid Formula: C16H19Cl2NO6S MolecularWeight: 424.29616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CSCC(C(=O)O)N)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl

Isomeric SMILES

CCC(CSCC(C(=O)O)N)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl

InChI

InChI=1S/C16H19Cl2NO6S/c1-2-8(6-26-7-10(19)16(23)24)15(22)9-3-4-11(14(18)13(9)17)25-5-12(20)21/h3-4,8,10H,2,5-7,19H2,1H3,(H,20,21)(H,23,24)