tert-butyl (2R,3R)-3-(2-aminophenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate

Systemtic Name: tert-butyl (2R,3R)-3-(2-aminophenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: tert-butyl (2R,3R)-3-(2-aminophenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: (2R,3R)-3-[(2-aminophenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R)-3-(2-aminophenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: (2R,3R)-3-[(2-aminophenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid tert-butyl ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4S/c1-20(2,3)25-19(23)17(22)18(13-9-11-14(24-4)12-10-13)26-16-8-6-5-7-15(16)21/h5-12,17-18,22H,21H2,1-4H3/t17-,18+/m0/s1