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

Systemtic Name: S-(phenylmethyl) 3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanethioate Openeye Name: S-benzyl 2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanethioate CAS Name: 3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanethioate Traditional Name: 2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanethioic acid S-benzyl ester Formula: C24H23NO4S MolecularWeight: 421.50872

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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)SCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)O)C(=O)SCC3=CC=CC=C3

InChI

InChI=1S/C24H23NO4S/c26-21-13-11-18(12-14-21)15-22(23(27)30-17-20-9-5-2-6-10-20)25-24(28)29-16-19-7-3-1-4-8-19/h1-14,22,26H,15-17H2,(H,25,28)