ethyl 3-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]sulfanylpropanoate

Systemtic Name: ethyl 3-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]sulfanylpropanoate Openeye Name: ethyl 3-[(2S)-3-phenyl-2-(p-tolylsulfonylamino)propanoyl]sulfanylpropanoate CAS Name: 3-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-1-oxo-3-phenylpropyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]sulfanylpropanoate Traditional Name: 3-[[(2S)-3-phenyl-2-(tosylamino)propanoyl]thio]propionic acid ethyl ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CCSC(=O)[C@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H25NO5S2/c1-3-27-20(23)13-14-28-21(24)19(15-17-7-5-4-6-8-17)22-29(25,26)18-11-9-16(2)10-12-18/h4-12,19,22H,3,13-15H2,1-2H3/t19-/m0/s1