For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl]amino]-5,6-dihydro-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl]amino]-5,6-dihydro-, ethyl ester
SpectraBase Compound ID Am92NKyvgJ
InChI InChI=1S/C15H19N5O3S2/c1-3-23-14(22)12-9-5-4-6-10(9)25-13(12)17-11(21)7-24-15-19-18-8(2)20(15)16/h3-7,16H2,1-2H3,(H,17,21)
InChIKey QPBVRSXZQNXRHX-UHFFFAOYSA-N
Mol Weight 381.47 g/mol
Molecular Formula C15H19N5O3S2
Exact Mass 381.092932 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID bRNy9HPo9g
Name 2-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19N5O3S2
InChI InChI=1S/C15H19N5O3S2/c1-3-23-14(22)12-9-5-4-6-10(9)25-13(12)17-11(21)7-24-15-19-18-8(2)20(15)16/h3-7,16H2,1-2H3,(H,17,21)
InChIKey QPBVRSXZQNXRHX-UHFFFAOYSA-N
Molecular Weight 381.469 g/mol
SMILES N(c1c(c2CCCc2s1)C(=O)OCC)C(CSc1[n](c(nn1)C)N)=O
SPLASH splash10-00di-2920000000-f32ea4b83d20ef65a762
Synonyms 2-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Ethyl 2-({[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Ethyl 2-[2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Ethyl 2-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Wiley ID 1453913