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4-((E)-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)imino]methyl)-2-methoxyphenyl acetate
SpectraBase Compound ID 9lcsrArAPlb
InChI InChI=1S/C19H18N2O3S/c1-12(22)24-16-8-7-13(9-17(16)23-2)11-21-19-15(10-20)14-5-3-4-6-18(14)25-19/h7-9,11H,3-6H2,1-2H3/b21-11+
InChIKey KYYPZVHXHQPXLD-SRZZPIQSSA-N
Mol Weight 354.42 g/mol
Molecular Formula C19H18N2O3S
Exact Mass 354.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 528hTTo7nxe
Name 4-((E)-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)imino]methyl)-2-methoxyphenyl acetate
CAS Registry Number 311774-02-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N2O3S
InChI InChI=1S/C19H18N2O3S/c1-12(22)24-16-8-7-13(9-17(16)23-2)11-21-19-15(10-20)14-5-3-4-6-18(14)25-19/h7-9,11H,3-6H2,1-2H3/b21-11+
InChIKey KYYPZVHXHQPXLD-SRZZPIQSSA-N
Molecular Weight 354.424 g/mol
SMILES c1(c(sc2c1CCCC2)\N=C\c1cc(OC)c(cc1)OC(=O)C)C#N
SPLASH splash10-03di-6439000000-424f8594d9ebaae3847d
Source of Spectrum AD-0-2532-0
Synonyms Benzothiophene-3-carbonitrole, 4,5,6,7-tetrahydro-2-(4-acetoxy-3-methoxybenzylidenamino)- Acetic acid [4-[(E)-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-2-methoxyphenyl] ester [4-[(E)-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-2-methoxyphenyl] acetate [4-[(E)-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-2-methoxy-phenyl] acetate [4-[(E)-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-2-methoxy-phenyl] ethanoate
Wiley ID 1426577