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Benzeneacetic acid, 4-[[2-[(5-methoxy-1H-1,3-benzimidazol-2-yl)thio]acetyl]amino]-
SpectraBase Compound ID 6ScvsJ2NsOK
InChI InChI=1S/C18H17N3O4S/c1-25-13-6-7-14-15(9-13)21-18(20-14)26-10-16(22)19-12-4-2-11(3-5-12)8-17(23)24/h2-7,9H,8,10H2,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKey SBCCFNCGTMMLTL-UHFFFAOYSA-N
Mol Weight 371.41 g/mol
Molecular Formula C18H17N3O4S
Exact Mass 371.093977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1neT4FwIzI
Name Benzeneacetic acid, 4-[[2-[(5-methoxy-1H-1,3-benzimidazol-2-yl)thio]acetyl]amino]-
Alternate Name(s) 2-[4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]phenyl]acetic acid 2-[4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetic acid 2-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]phenyl]ethanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3O4S
InChI InChI=1S/C18H17N3O4S/c1-25-13-6-7-14-15(9-13)21-18(20-14)26-10-16(22)19-12-4-2-11(3-5-12)8-17(23)24/h2-7,9H,8,10H2,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKey SBCCFNCGTMMLTL-UHFFFAOYSA-N
Molecular Weight 371.411 g/mol
SMILES [nH]1c2ccc(cc2nc1SCC(Nc1ccc(CC(=O)O)cc1)=O)OC
SPLASH splash10-0pb9-7920000000-e7aaf94ab3e74d137926
Source of Spectrum IY-1-4655-7
Wiley ID 1654540