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4-[(3-chloro-4-methyl-anilino)-morpholino-phosphoryl]-5-[(N-methyl-C-phenyl-carbonimidoyl)amino]thiophene-2-carboxylic acid methyl ester
SpectraBase Compound ID EiyFeaKLpm1
InChI InChI=1S/C25H28ClN4O4PS/c1-17-9-10-19(15-20(17)26)29-35(32,30-11-13-34-14-12-30)21-16-22(25(31)33-3)36-24(21)28-23(27-2)18-7-5-4-6-8-18/h4-10,15-16H,11-14H2,1-3H3,(H,27,28)(H,29,32)
InChIKey SEQOPQNBLQLHAO-UHFFFAOYSA-N
Mol Weight 547.01 g/mol
Molecular Formula C25H28ClN4O4PS
Exact Mass 546.125741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41y1m8o3L2h
Name 4-[(3-chloro-4-methyl-anilino)-morpholino-phosphoryl]-5-[(N-methyl-C-phenyl-carbonimidoyl)amino]thiophene-2-carboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C25H28ClN4O4PS
InChI InChI=1S/C25H28ClN4O4PS/c1-17-9-10-19(15-20(17)26)29-35(32,30-11-13-34-14-12-30)21-16-22(25(31)33-3)36-24(21)28-23(27-2)18-7-5-4-6-8-18/h4-10,15-16H,11-14H2,1-3H3,(H,27,28)(H,29,32)
InChIKey SEQOPQNBLQLHAO-UHFFFAOYSA-N
Molecular Weight 547.010 g/mol
SMILES N(\C(=N\c1sc(cc1P(=O)(N1CCOCC1)Nc1cc(c(cc1)C)Cl)C(=O)OC)c1ccccc1)C
SPLASH splash10-014i-0900000000-5e5378c2e4639d3bcf4f
Source of Spectrum F4-0-1622-30
Synonyms 4-[(3-chloro-4-methylanilino)-(4-morpholinyl)phosphoryl]-5-[[methylimino(phenyl)methyl]amino]-2-thiophenecarboxylic acid methyl ester methyl 4-[(3-chloro-4-methyl-anilino)-morpholino-phosphoryl]-5-[(N-methyl-C-phenyl-carbonimidoyl)amino]thiophene-2-carboxylate methyl 4-[(3-chloro-4-methylanilino)-morpholin-4-ylphosphoryl]-5-[(N-methyl-C-phenylcarbonimidoyl)amino]thiophene-2-carboxylate methyl 4-[[(3-chloranyl-4-methyl-phenyl)amino]-morpholin-4-yl-phosphoryl]-5-[(N-methyl-C-phenyl-carbonimidoyl)amino]thiophene-2-carboxylate
Wiley ID 1619833