1-[4-[4-(ETHOXYCARBONYL)ANILINO]-1-[3-(METHYLTHIO)PHENYL]-2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-3-YL]PYRIDINIUM CHLORIDE

CAS No.
281223-48-1
CCD No.
CCD00272735
Formula
C25 H22 N3 O4 S . Cl
MolWeight
495.985

Basic Information

Product Name: 1-[4-[4-(ETHOXYCARBONYL)ANILINO]-1-[3-(METHYLTHIO)PHENYL]-2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-3-YL]PYRIDINIUM CHLORIDE
CAS: 281223-48-1
English Synonyms: 1-[4-[4-(ETHOXYCARBONYL)ANILINO]-1-[3-(METHYLTHIO)PHENYL]-2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-3-YL]PYRIDINIUM CHLORIDE
MDL Number.: MFCD01935577
H bond acceptor: 7
H bond donor: 1
Smile: CCOC(=O)c1ccc(cc1)NC2=C(C(=O)N(C2=O)c3cccc(c3)SC)[n+]4ccccc4.[Cl-]
InChi: InChI=1S/C25H21N3O4S.ClH/c1-3-32-25(31)17-10-12-18(13-11-17)26-21-22(27-14-5-4-6-15-27)24(30)28(23(21)29)19-8-7-9-20(16-19)33-2;/h4-16H,3H2,1-2H3;1H
InChiKey: InChIKey=OXZRLNVZIFWLBL-UHFFFAOYSA-N

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