(Z)-2-diazonio-1-methoxy-3-oxidanylidene-3-[2-(prop-2-enylsulfanylmethyl)-2,3-dihydroindol-1-yl]prop-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-1-methoxy-3-oxidanylidene-3-[2-(prop-2-enylsulfanylmethyl)-2,3-dihydroindol-1-yl]prop-1-en-1-olate Openeye Name: (Z)-3-[2-(allylsulfanylmethyl)indolin-1-yl]-2-diazonio-1-methoxy-3-oxo-prop-1-en-1-olate CAS Name: (Z)-2-diazonio-1-methoxy-3-oxo-3-[2-[(prop-2-enylthio)methyl]-2,3-dihydroindol-1-yl]-1-propen-1-olate IUPAC Name: (Z)-2-diazonio-1-methoxy-3-oxo-3-[2-(prop-2-enylsulfanylmethyl)-2,3-dihydroindol-1-yl]prop-1-en-1-olate Traditional Name: (Z)-3-[2-[(allylthio)methyl]indolin-1-yl]-2-diazonio-3-keto-1-methoxy-prop-1-en-1-olate Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C(C(=O)N1C(CC2=CC=CC=C21)CSCC=C)[N+]#N)[O-]

Isomeric SMILES

CO/C(=C(/C(=O)N1C(CC2=CC=CC=C21)CSCC=C)\[N+]#N)/[O-]

InChI

InChI=1S/C16H17N3O3S/c1-3-8-23-10-12-9-11-6-4-5-7-13(11)19(12)15(20)14(18-17)16(21)22-2/h3-7,12H,1,8-10H2,2H3