ethyl (2S,3S)-3-(2-aminophenyl)sulfanyl-2-(2-methoxyethoxymethoxy)-3-(4-methoxyphenyl)propanoate

Systemtic Name: ethyl (2S,3S)-3-(2-aminophenyl)sulfanyl-2-(2-methoxyethoxymethoxy)-3-(4-methoxyphenyl)propanoate Openeye Name: ethyl (2S,3S)-3-(2-aminophenyl)sulfanyl-2-(2-methoxyethoxymethoxy)-3-(4-methoxyphenyl)propanoate CAS Name: (2S,3S)-3-[(2-aminophenyl)thio]-2-(2-methoxyethoxymethoxy)-3-(4-methoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-(2-aminophenyl)sulfanyl-2-(2-methoxyethoxymethoxy)-3-(4-methoxyphenyl)propanoate Traditional Name: (2S,3S)-3-[(2-aminophenyl)thio]-2-(2-methoxyethoxymethoxy)-3-(4-methoxyphenyl)propionic acid ethyl ester Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(C=C1)OC)SC2=CC=CC=C2N)OCOCCOC

Isomeric SMILES

CCOC(=O)[C@@H]([C@H](C1=CC=C(C=C1)OC)SC2=CC=CC=C2N)OCOCCOC

InChI

InChI=1S/C22H29NO6S/c1-4-28-22(24)20(29-15-27-14-13-25-2)21(16-9-11-17(26-3)12-10-16)30-19-8-6-5-7-18(19)23/h5-12,20-21H,4,13-15,23H2,1-3H3/t20-,21+/m1/s1