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

Systemtic Name: ethyl (2S,3S)-3-(2-azanyl-5-ethoxy-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: ethyl (2S,3S)-3-(2-amino-5-ethoxy-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: (2S,3S)-3-[(2-amino-5-ethoxyphenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-(2-amino-5-ethoxyphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: (2S,3S)-3-[(2-amino-5-ethoxy-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid ethyl ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N)SC(C2=CC=C(C=C2)OC)C(C(=O)OCC)O

Isomeric SMILES

CCOC1=CC(=C(C=C1)N)S[C@@H](C2=CC=C(C=C2)OC)[C@H](C(=O)OCC)O

InChI

InChI=1S/C20H25NO5S/c1-4-25-15-10-11-16(21)17(12-15)27-19(18(22)20(23)26-5-2)13-6-8-14(24-3)9-7-13/h6-12,18-19,22H,4-5,21H2,1-3H3/t18-,19+/m1/s1