(phenylmethyl) (E)-2-(phenylmethoxycarbonylamino)-4-(phenylmethylsulfanyl)but-3-enoate

Systemtic Name: (phenylmethyl) (E)-2-(phenylmethoxycarbonylamino)-4-(phenylmethylsulfanyl)but-3-enoate Openeye Name: benzyl (E)-2-(benzyloxycarbonylamino)-4-benzylsulfanyl-but-3-enoate CAS Name: (E)-2-(phenylmethoxycarbonylamino)-4-(phenylmethylthio)-3-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-4-benzylsulfanyl-2-(phenylmethoxycarbonylamino)but-3-enoate Traditional Name: (E)-2-(benzyloxycarbonylamino)-4-(benzylthio)but-3-enoic acid benzyl ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C=CSCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(/C=C/SCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H25NO4S/c28-25(30-18-21-10-4-1-5-11-21)24(16-17-32-20-23-14-8-3-9-15-23)27-26(29)31-19-22-12-6-2-7-13-22/h1-17,24H,18-20H2,(H,27,29)/b17-16+