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

*Links on SpectraBase are not permalinks.

ethyl 2-{[(2Z)-3-(anilinocarbonyl)-6-methoxy-2H-chromen-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 2 NMR

ethyl 2-{[(2Z)-3-(anilinocarbonyl)-6-methoxy-2H-chromen-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 3Bj3oFJOhSs
InChI InChI=1S/C28H26N2O5S/c1-3-34-28(32)24-20-11-7-8-12-23(20)36-27(24)30-26-21(25(31)29-18-9-5-4-6-10-18)16-17-15-19(33-2)13-14-22(17)35-26/h4-6,9-10,13-16H,3,7-8,11-12H2,1-2H3,(H,29,31)/b30-26-
InChIKey GAVVZYDEGYONGR-BXVZCJGGSA-N
Mol Weight 502.59 g/mol
Molecular Formula C28H26N2O5S
Exact Mass 502.156243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 51pz1fs7sXB
Name Ethyl 2-{[(2Z)-3-(anilinocarbonyl)-6-methoxy-2H-chromen-2-ylidene]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 502.156243114 u
Formula C28H26N2O5S
InChI InChI=1S/C28H26N2O5S/c1-3-34-28(32)24-20-11-7-8-12-23(20)36-27(24)30-26-21(25(31)29-18-9-5-4-6-10-18)16-17-15-19(33-2)13-14-22(17)35-26/h4-6,9-10,13-16H,3,7-8,11-12H2,1-2H3,(H,29,31)/b30-26-
InChIKey GAVVZYDEGYONGR-BXVZCJGGSA-N
Molecular Weight 502.585 g/mol
SMILES N(C(C=1\C(=N\C2=C(C=3CCCCC3S2)C(=O)OCC)OC=2C(=CC(=CC2)OC)C1)=O)C=1C=CC=CC1