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Methyl 2-({[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 2 NMR

Methyl 2-({[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 8W4tnr03fsE
InChI InChI=1S/C19H19N3O5S2/c1-25-18(24)15-11-4-2-3-5-14(11)29-17(15)20-19(28)22-21-16(23)10-6-7-12-13(8-10)27-9-26-12/h6-8H,2-5,9H2,1H3,(H,21,23)(H2,20,22,28)
InChIKey AWYLUGYQEYKBAA-UHFFFAOYSA-N
Mol Weight 433.5 g/mol
Molecular Formula C19H19N3O5S2
Exact Mass 433.076613 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BBPivTIWiTa
Name Methyl 2-({[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 433.076613067 u
Formula C19H19N3O5S2
InChI InChI=1S/C19H19N3O5S2/c1-25-18(24)15-11-4-2-3-5-14(11)29-17(15)20-19(28)22-21-16(23)10-6-7-12-13(8-10)27-9-26-12/h6-8H,2-5,9H2,1H3,(H,21,23)(H2,20,22,28)
InChIKey AWYLUGYQEYKBAA-UHFFFAOYSA-N
Molecular Weight 433.497 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C(=O)OC)C(NNC(C=1C=C2OCOC2=CC1)=O)=S