methyl (2S,3R)-3-(2-azanyl-5-methyl-phenyl)sulfanyl-3-(4-methylphenyl)-2-oxidanyl-propanoate

Systemtic Name: methyl (2S,3R)-3-(2-azanyl-5-methyl-phenyl)sulfanyl-3-(4-methylphenyl)-2-oxidanyl-propanoate Openeye Name: methyl (2S,3R)-3-(2-amino-5-methyl-phenyl)sulfanyl-2-hydroxy-3-(p-tolyl)propanoate CAS Name: (2S,3R)-3-[(2-amino-5-methylphenyl)thio]-2-hydroxy-3-(4-methylphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-(2-amino-5-methylphenyl)sulfanyl-2-hydroxy-3-(4-methylphenyl)propanoate Traditional Name: (2S,3R)-3-[(2-amino-5-methyl-phenyl)thio]-2-hydroxy-3-(p-tolyl)propionic acid methyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C(=O)OC)O)SC2=C(C=CC(=C2)C)N

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]([C@H](C(=O)OC)O)SC2=C(C=CC(=C2)C)N

InChI

InChI=1S/C18H21NO3S/c1-11-4-7-13(8-5-11)17(16(20)18(21)22-3)23-15-10-12(2)6-9-14(15)19/h4-10,16-17,20H,19H2,1-3H3/t16-,17-/m1/s1