ethyl (2S,3S)-3-(2-azanyl-5-methyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate

Systemtic Name: ethyl (2S,3S)-3-(2-azanyl-5-methyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: ethyl (2S,3S)-3-(2-amino-5-methyl-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: (2S,3S)-3-[(2-amino-5-methylphenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-(2-amino-5-methylphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: (2S,3S)-3-[(2-amino-5-methyl-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid ethyl ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO4S/c1-4-24-19(22)17(21)18(13-6-8-14(23-3)9-7-13)25-16-11-12(2)5-10-15(16)20/h5-11,17-18,21H,4,20H2,1-3H3/t17-,18+/m1/s1