ethyl (2R,3R)-3-(2-azanyl-3,5-dimethyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate

Systemtic Name: ethyl (2R,3R)-3-(2-azanyl-3,5-dimethyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: ethyl (2R,3R)-3-(2-amino-3,5-dimethyl-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: (2R,3R)-3-[(2-amino-3,5-dimethylphenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-3-(2-amino-3,5-dimethylphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: (2R,3R)-3-[(2-amino-3,5-dimethyl-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid ethyl ester Formula: C20H25NO4S MolecularWeight: 375.4818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(C=C1)OC)SC2=CC(=CC(=C2N)C)C)O

Isomeric SMILES

CCOC(=O)[C@H]([C@@H](C1=CC=C(C=C1)OC)SC2=CC(=CC(=C2N)C)C)O

InChI

InChI=1S/C20H25NO4S/c1-5-25-20(23)18(22)19(14-6-8-15(24-4)9-7-14)26-16-11-12(2)10-13(3)17(16)21/h6-11,18-19,22H,5,21H2,1-4H3/t18-,19+/m0/s1