(Z,5S)-2-diazonio-7-methyl-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxidanylidene-1-prop-2-enoxy-oct-1-en-1-olate

Systemtic Name: (Z,5S)-2-diazonio-7-methyl-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxidanylidene-1-prop-2-enoxy-oct-1-en-1-olate Openeye Name: (Z,5S)-1-allyloxy-2-diazonio-7-methyl-3-oxo-5-[[(S)-p-tolylsulfinyl]amino]oct-1-en-1-olate CAS Name: (Z,5S)-2-diazonio-7-methyl-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxo-1-prop-2-enoxy-1-octen-1-olate IUPAC Name: (Z,5S)-2-diazonio-7-methyl-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxo-1-prop-2-enoxyoct-1-en-1-olate Traditional Name: (Z,5S)-1-allyloxy-2-diazonio-3-keto-7-methyl-5-[[(S)-p-tolylsulfinyl]amino]oct-1-en-1-olate Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)NC(CC(C)C)CC(=O)C(=C([O-])OCC=C)[N+]#N

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)N[C@@H](CC(C)C)CC(=O)/C(=C(\[O-])/OCC=C)/[N+]#N

InChI

InChI=1S/C19H25N3O4S/c1-5-10-26-19(24)18(21-20)17(23)12-15(11-13(2)3)22-27(25)16-8-6-14(4)7-9-16/h5-9,13,15,22H,1,10-12H2,2-4H3/t15-,27-/m0/s1