Compound C22H23N2O4S-

6-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzothiepine-5-carbonitrile;2-hydroxy-2-oxoacetate

CAS: 87033-51-0

Molecular Formula	`C22H23N2O4S-`
Molecular Weight	411.5 g/mol
Topological Polar Surface Area	130.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	411.13785
Heavy Atoms	29
Complexity	505.0

Chemical Identifiers

CAS Number	87033-51-0
SMILES	`CN(C)CCCC1C(C2=CC=CC=C2SC3=CC=CC=C13)C#N.C(=O)(C(=O)[O-])O`
InChIKey	`YNWDETZEXVPRAI-UHFFFAOYSA-M`

📖 Product Overview

Compound C22H23N2O4S- (CAS: 87033-51-0) is a chemical compound with molecular formula C22H23N2O4S- and molecular weight 411.5 g/mol. Its IUPAC systematic name is 6-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzothiepine-5-carbonitrile;2-hydroxy-2-oxoacetate. Topological Polar Surface Area 130.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 4 Exact Mass 411.13785 Heavy Atoms 29 Complexity 505.0 InChI Key: YNWDETZEXVPRAI-UHFFFAOYSA-M. SMILES: CN(C)CCCC1C(C2=CC=CC=C2SC3=CC=CC=C13)C#N.C(=O)(C(=O)[O-])O.

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