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Benzoic acid, 4-[[3-[(4-chlorophenyl)methyl]tetrahydro-6-[[[4-(methoxycarbonyl)phenyl]amino]carbonyl]-4-oxo-2H-1,3-thiazin-2-yliden]amino]-, ethyl ester

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

Benzoic acid, 4-[[3-[(4-chlorophenyl)methyl]tetrahydro-6-[[[4-(methoxycarbonyl)phenyl]amino]carbonyl]-4-oxo-2H-1,3-thiazin-2-yliden]amino]-, ethyl ester
SpectraBase Compound ID 66TS7HiEYWi
InChI InChI=1S/C29H26ClN3O6S/c1-3-39-28(37)20-8-14-23(15-9-20)32-29-33(17-18-4-10-21(30)11-5-18)25(34)16-24(40-29)26(35)31-22-12-6-19(7-13-22)27(36)38-2/h4-15,24H,3,16-17H2,1-2H3,(H,31,35)/b32-29+
InChIKey GDVOFFLZJXVMDB-UUDCSCGESA-N
Mol Weight 580.06 g/mol
Molecular Formula C29H26ClN3O6S
Exact Mass 579.123084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AKE9oAXOzCJ
Name Benzoic acid, 4-[[3-[(4-chlorophenyl)methyl]tetrahydro-6-[[[4-(methoxycarbonyl)phenyl]amino]carbonyl]-4-oxo-2H-1,3-thiazin-2-yliden]amino]-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 579.123084437 u
Formula C29H26ClN3O6S
InChI InChI=1S/C29H26ClN3O6S/c1-3-39-28(37)20-8-14-23(15-9-20)32-29-33(17-18-4-10-21(30)11-5-18)25(34)16-24(40-29)26(35)31-22-12-6-19(7-13-22)27(36)38-2/h4-15,24H,3,16-17H2,1-2H3,(H,31,35)/b32-29+
InChIKey GDVOFFLZJXVMDB-UUDCSCGESA-N
Molecular Weight 580.055 g/mol
SMILES CCOC(C=1C=CC(\N=C/2N(C(CC(C(NC=3C=CC(C(=O)OC)=CC3)=O)S2)=O)CC=2C=CC(Cl)=CC2)=CC1)=O