ethyl (E)-3-(4-methylphenyl)sulfonyloxy-4-(phenylmethoxycarbonylamino)but-2-enoate

Systemtic Name: ethyl (E)-3-(4-methylphenyl)sulfonyloxy-4-(phenylmethoxycarbonylamino)but-2-enoate Openeye Name: ethyl (E)-4-(benzyloxycarbonylamino)-3-(p-tolylsulfonyloxy)but-2-enoate CAS Name: (E)-3-(4-methylphenyl)sulfonyloxy-4-(phenylmethoxycarbonylamino)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(4-methylphenyl)sulfonyloxy-4-(phenylmethoxycarbonylamino)but-2-enoate Traditional Name: (E)-4-(benzyloxycarbonylamino)-3-tosyloxy-but-2-enoic acid ethyl ester Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(CNC(=O)OCC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)/C=C(\CNC(=O)OCC1=CC=CC=C1)/OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H23NO7S/c1-3-27-20(23)13-18(29-30(25,26)19-11-9-16(2)10-12-19)14-22-21(24)28-15-17-7-5-4-6-8-17/h4-13H,3,14-15H2,1-2H3,(H,22,24)/b18-13+