S-phenyl (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanethioate

Systemtic Name: S-phenyl (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanethioate Openeye Name: S-phenyl (2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanethioate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanethioic acid S-phenyl ester IUPAC Name: S-phenyl (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanethioate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanethioic acid S-phenyl ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)O)C(=O)SC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)SC3=CC=CC=C3

InChI

InChI=1S/C23H21NO4S/c25-19-13-11-17(12-14-19)15-21(22(26)29-20-9-5-2-6-10-20)24-23(27)28-16-18-7-3-1-4-8-18/h1-14,21,25H,15-16H2,(H,24,27)/t21-/m0/s1