1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID, 5-CYANO-3-[4-[(METHYLSULFONYL)OXY]BUTYL]-, 1,1-DIMETHYLETHYL ESTER

CAS No.
1187322-57-1
CCD No.
CCD02500508
Formula
C18 H23 N3 O5 S
MolWeight
393.462

Basic Information

Product Name: 1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID, 5-CYANO-3-[4-[(METHYLSULFONYL)OXY]BUTYL]-, 1,1-DIMETHYLETHYL ESTER
CAS: 1187322-57-1
English Synonyms: 1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID, 5-CYANO-3-[4-[(METHYLSULFONYL)OXY]BUTYL]-, 1,1-DIMETHYLETHYL ESTER
MDL Number.: MFCD16039013
H bond acceptor: 8
H bond donor: 0
Smile: CC(C)(C)OC(=O)n1cc(c2c1ncc(c2)C#N)CCCCOS(=O)(=O)C
InChi: InChI=1S/C18H23N3O5S/c1-18(2,3)26-17(22)21-12-14(7-5-6-8-25-27(4,23)24)15-9-13(10-19)11-20-16(15)21/h9,11-12H,5-8H2,1-4H3
InChiKey: InChIKey=AEOIHQSLZJFJKD-UHFFFAOYSA-N

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