3-(2-azanyl-6-chloranyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid

Systemtic Name: 3-(2-azanyl-6-chloranyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid Openeye Name: 3-(2-amino-6-chloro-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-[(2-amino-6-chlorophenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-(2-amino-6-chlorophenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[(2-amino-6-chloro-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid Formula: C16H16ClNO4S MolecularWeight: 353.82054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C(=O)O)O)SC2=C(C=CC=C2Cl)N

Isomeric SMILES

COC1=CC=C(C=C1)C(C(C(=O)O)O)SC2=C(C=CC=C2Cl)N

InChI

InChI=1S/C16H16ClNO4S/c1-22-10-7-5-9(6-8-10)14(13(19)16(20)21)23-15-11(17)3-2-4-12(15)18/h2-8,13-14,19H,18H2,1H3,(H,20,21)