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3,4-Dihydroxy-3-methoxy-5-[(2-benzo[d]thiazolyl)thiomethyl]-.alpha.-carboxamidocinnamonitrile
SpectraBase Compound ID EZq1YtAUALN
InChI InChI=1S/C18H13N3O3S2/c19-8-11(17(20)24)5-10-6-12(16(23)14(22)7-10)9-25-18-21-13-3-1-2-4-15(13)26-18/h1-7,22-23H,9H2,(H2,20,24)/b11-5+
InChIKey YKKHGAQJLNLGMM-VZUCSPMQSA-N
Mol Weight 383.44 g/mol
Molecular Formula C18H13N3O3S2
Exact Mass 383.039834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Tw3UcZTcJv
Name 3,4-Dihydroxy-3-methoxy-5-[(2-benzo[d]thiazolyl)thiomethyl]-.alpha.-carboxamidocinnamonitrile
Alternate Name(s) (E)-3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4,5-dihydroxyphenyl]-2-cyano-2-propenamide (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4,5-dihydroxyphenyl]-2-cyanoprop-2-enamide (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4,5-dihydroxy-phenyl]-2-cyano-prop-2-enamide (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4,5-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide
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Formula C18H13N3O3S2
InChI InChI=1S/C18H13N3O3S2/c19-8-11(17(20)24)5-10-6-12(16(23)14(22)7-10)9-25-18-21-13-3-1-2-4-15(13)26-18/h1-7,22-23H,9H2,(H2,20,24)/b11-5+
InChIKey YKKHGAQJLNLGMM-VZUCSPMQSA-N
Molecular Weight 383.440 g/mol
SMILES Oc1c(c(cc(\C=C\(C(=O)N)C#N)c1)CSc1nc2ccccc2s1)O
SPLASH splash10-014i-0900000000-fba77f0156ea26bb2c75
Source of Spectrum E1-36-3560-9
Wiley ID 1574799