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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
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4drh8oPbKpg
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
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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 N(C(C1CC(N(\C(S1)=N/c1ccc(C(=O)OCC)cc1)Cc1ccc(Cl)cc1)=O)=O)c1ccc(C(=O)OC)cc1
SPLASH splash10-004i-4910000000-3c4c07a5beab61418c45
Synonyms Ethyl 4-[((2E)-3-(4-chlorobenzyl)-6-{[4-(methoxycarbonyl)anilino]carbonyl}-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene)amino]benzoate Ethyl 4-[(3-(4-chlorobenzyl)-6-{[4-(methoxycarbonyl)anilino]carbonyl}-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoate
Wiley ID 1443053