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

Systemtic Name: methyl (2R,3R)-3-(2-azanyl-5-methyl-phenyl)sulfanyl-3-(4-ethylphenyl)-2-oxidanyl-propanoate Openeye Name: methyl (2R,3R)-3-(2-amino-5-methyl-phenyl)sulfanyl-3-(4-ethylphenyl)-2-hydroxy-propanoate CAS Name: (2R,3R)-3-[(2-amino-5-methylphenyl)thio]-3-(4-ethylphenyl)-2-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2R,3R)-3-(2-amino-5-methylphenyl)sulfanyl-3-(4-ethylphenyl)-2-hydroxypropanoate Traditional Name: (2R,3R)-3-[(2-amino-5-methyl-phenyl)thio]-3-(4-ethylphenyl)-2-hydroxy-propionic acid methyl ester Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO3S/c1-4-13-6-8-14(9-7-13)18(17(21)19(22)23-3)24-16-11-12(2)5-10-15(16)20/h5-11,17-18,21H,4,20H2,1-3H3/t17-,18+/m0/s1