(E)-1-diazonio-3-(phenylmethoxycarbonylamino)-4-phenylsulfanyl-but-1-en-2-olate

Systemtic Name: (E)-1-diazonio-3-(phenylmethoxycarbonylamino)-4-phenylsulfanyl-but-1-en-2-olate Openeye Name: (E)-3-(benzyloxycarbonylamino)-1-diazonio-4-phenylsulfanyl-but-1-en-2-olate CAS Name: (E)-1-diazonio-3-(phenylmethoxycarbonylamino)-4-(phenylthio)-1-buten-2-olate IUPAC Name: (E)-1-diazonio-3-(phenylmethoxycarbonylamino)-4-phenylsulfanylbut-1-en-2-olate Traditional Name: (E)-3-(benzyloxycarbonylamino)-1-diazonio-4-(phenylthio)but-1-en-2-olate Formula: C18H17N3O3S MolecularWeight: 355.41088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSC2=CC=CC=C2)C(=C[N+]#N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CSC2=CC=CC=C2)/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C18H17N3O3S/c19-20-11-17(22)16(13-25-15-9-5-2-6-10-15)21-18(23)24-12-14-7-3-1-4-8-14/h1-11,16H,12-13H2,(H-,21,22,23)/b17-11+