methyl (2R,3R)-3-(2-azanyl-4,5-dimethyl-phenyl)sulfanyl-3-(4-ethylphenyl)-2-oxidanyl-propanoate

Systemtic Name: methyl (2R,3R)-3-(2-azanyl-4,5-dimethyl-phenyl)sulfanyl-3-(4-ethylphenyl)-2-oxidanyl-propanoate Openeye Name: methyl (2R,3R)-3-(2-amino-4,5-dimethyl-phenyl)sulfanyl-3-(4-ethylphenyl)-2-hydroxy-propanoate CAS Name: (2R,3R)-3-[(2-amino-4,5-dimethylphenyl)thio]-3-(4-ethylphenyl)-2-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2R,3R)-3-(2-amino-4,5-dimethylphenyl)sulfanyl-3-(4-ethylphenyl)-2-hydroxypropanoate Traditional Name: (2R,3R)-3-[(2-amino-4,5-dimethyl-phenyl)thio]-3-(4-ethylphenyl)-2-hydroxy-propionic acid methyl ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C(=O)OC)O)SC2=C(C=C(C(=C2)C)C)N

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]([C@@H](C(=O)OC)O)SC2=C(C=C(C(=C2)C)C)N

InChI

InChI=1S/C20H25NO3S/c1-5-14-6-8-15(9-7-14)19(18(22)20(23)24-4)25-17-11-13(3)12(2)10-16(17)21/h6-11,18-19,22H,5,21H2,1-4H3/t18-,19+/m0/s1