methyl (2R,3R)-3-(2-azanyl-4,6-dimethyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate

Systemtic Name: methyl (2R,3R)-3-(2-azanyl-4,6-dimethyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: methyl (2R,3R)-3-(2-amino-4,6-dimethyl-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: (2R,3R)-3-[(2-amino-4,6-dimethylphenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2R,3R)-3-(2-amino-4,6-dimethylphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: (2R,3R)-3-[(2-amino-4,6-dimethyl-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N)SC(C2=CC=C(C=C2)OC)C(C(=O)OC)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)N)S[C@H](C2=CC=C(C=C2)OC)[C@@H](C(=O)OC)O)C

InChI

InChI=1S/C19H23NO4S/c1-11-9-12(2)17(15(20)10-11)25-18(16(21)19(22)24-4)13-5-7-14(23-3)8-6-13/h5-10,16,18,21H,20H2,1-4H3/t16-,18+/m0/s1