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

Systemtic Name: methyl (2R,3R)-3-(2-azanyl-5-ethyl-phenyl)sulfanyl-2-oxidanyl-3-phenyl-propanoate Openeye Name: methyl (2R,3R)-3-(2-amino-5-ethyl-phenyl)sulfanyl-2-hydroxy-3-phenyl-propanoate CAS Name: (2R,3R)-3-[(2-amino-5-ethylphenyl)thio]-2-hydroxy-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R,3R)-3-(2-amino-5-ethylphenyl)sulfanyl-2-hydroxy-3-phenylpropanoate Traditional Name: (2R,3R)-3-[(2-amino-5-ethyl-phenyl)thio]-2-hydroxy-3-phenyl-propionic acid methyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3S/c1-3-12-9-10-14(19)15(11-12)23-17(16(20)18(21)22-2)13-7-5-4-6-8-13/h4-11,16-17,20H,3,19H2,1-2H3/t16-,17+/m0/s1