(7S)-7-acetamido-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalene-4-diazonium chloride

Systemtic Name: (7S)-7-acetamido-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalene-4-diazonium chloride Openeye Name: (7S)-7-acetamido-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalene-4-diazonium chloride CAS Name: (7S)-7-acetamido-1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalene-4-diazonium chloride IUPAC Name: (7S)-7-acetamido-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalene-4-diazonium chloride Traditional Name: (7S)-7-acetamido-9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalene-4-diazonium chloride Formula: C22H24ClN3O5S MolecularWeight: 477.96106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=C(C3=CC=C(C(=O)C=C13)SC)C(=C(C(=C2[N+]#N)OC)OC)OC.[Cl-]

Isomeric SMILES

CC(=O)N[C@H]1CCC2=C(C3=CC=C(C(=O)C=C13)SC)C(=C(C(=C2[N+]#N)OC)OC)OC.[Cl-]

InChI

InChI=1S/C22H23N3O5S.ClH/c1-11(26)24-15-8-6-13-18(12-7-9-17(31-5)16(27)10-14(12)15)20(28-2)22(30-4)21(29-3)19(13)25-23;/h7,9-10,15H,6,8H2,1-5H3;1H/t15-;/m0./s1