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benzoic acid, 4-[[[2-[[[4-(dimethylamino)phenyl]methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thien-3-yl]carbonyl]amino]-, ethyl ester

View entire compound with spectra: 2 NMR

benzoic acid, 4-[[[2-[[[4-(dimethylamino)phenyl]methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thien-3-yl]carbonyl]amino]-, ethyl ester
SpectraBase Compound ID 5YsskiA7tbK
InChI InChI=1S/C26H29N3O3S/c1-4-32-26(31)18-10-12-19(13-11-18)28-24(30)23-21-6-5-7-22(21)33-25(23)27-16-17-8-14-20(15-9-17)29(2)3/h8-15,27H,4-7,16H2,1-3H3,(H,28,30)
InChIKey CEOZYHCCFWJCRF-UHFFFAOYSA-N
Mol Weight 463.6 g/mol
Molecular Formula C26H29N3O3S
Exact Mass 463.192963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BiAB78zi0Bc
Name Benzoic acid, 4-[[[2-[[[4-(dimethylamino)phenyl]methyl]amino]-5,6-dihydro-4H-cyclopenta[B]thien-3-yl]carbonyl]amino]-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.192962977 u
Formula C26H29N3O3S
InChI InChI=1S/C26H29N3O3S/c1-4-32-26(31)18-10-12-19(13-11-18)28-24(30)23-21-6-5-7-22(21)33-25(23)27-16-17-8-14-20(15-9-17)29(2)3/h8-15,27H,4-7,16H2,1-3H3,(H,28,30)
InChIKey CEOZYHCCFWJCRF-UHFFFAOYSA-N
Molecular Weight 463.596 g/mol
SMILES N(C1=C(C(NC=2C=CC(C(=O)OCC)=CC2)=O)C2=C(S1)CCC2)CC1=CC=C(C=C1)N(C)C