N-[(4-Carbethoxybenzoyl)methyl]saccharin

HCID 19417371
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Basic information

Standard SMILES
CCOC(=O)c1ccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1
InChIKey
VECSAQFEIDEYKA-UHFFFAOYSA-N
Molecular formula
C18H15NO6S
Average molar mass
373.4 g/mol

Names & identifiers

Preferred name
N-[(4-Carbethoxybenzoyl)methyl]saccharin
IUPAC
ethyl 4-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]benzoate

Names & synonyms

SCHEMBL9014634VECSAQFEIDEYKA-UHFFFAOYSA-NN-[(4-Carbethoxybenzoyl)methyl]saccharin

Database identifiers

PubChem CID
19417371

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
106 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
26

Related reactions

1 records
New reaction record

Linked notes

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