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

Systemtic Name: methyl (2R,3R)-3-(2-azanyl-3-methyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: methyl (2R,3R)-3-(2-amino-3-methyl-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: (2R,3R)-3-[(2-amino-3-methylphenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2R,3R)-3-(2-amino-3-methylphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: (2R,3R)-3-[(2-amino-3-methyl-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4S/c1-11-5-4-6-14(15(11)19)24-17(16(20)18(21)23-3)12-7-9-13(22-2)10-8-12/h4-10,16-17,20H,19H2,1-3H3/t16-,17+/m0/s1