2-({[3-(Methylsulphanyl)phenyl]carbamoyl}oxy)butyl prop-2-enoate

HCID 68548464
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Basic information

Standard SMILES
C=CC(=O)OCC(CC)OC(=O)Nc1cccc(SC)c1
InChIKey
LFEJMGHMHKBZDN-UHFFFAOYSA-N
Molecular formula
C15H19NO4S
Average molar mass
309.4 g/mol
Monoisotopic mass
309.10347926

Names & identifiers

Preferred name
2-({[3-(Methylsulphanyl)phenyl]carbamoyl}oxy)butyl prop-2-enoate
IUPAC
2-[(3-methylsulfanylphenyl)carbamoyloxy]butyl prop-2-enoate

Names & synonyms

SCHEMBL3203082LFEJMGHMHKBZDN-UHFFFAOYSA-N2-({[3-(Methylsulphanyl)phenyl]carbamoyl}oxy)butyl prop-2-enoate

Database identifiers

PubChem CID
68548464

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
89.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
21

Related reactions

2 records
New reaction record

Compound notes

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