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Ethyl 2-amino-4-(3-methoxyphenyl)thiophene-3-carboxylate

HCID 690667
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOC(=O)c1c(-c2cccc(OC)c2)csc1N
InChIKey
DFRZGBOFFNEAEO-UHFFFAOYSA-N
Molecular formula
C14H15NO3S
Average molar mass
277.34 g/mol

Names & identifiers

Preferred name
Ethyl 2-amino-4-(3-methoxyphenyl)thiophene-3-carboxylate
IUPAC
ethyl 2-amino-4-(3-methoxyphenyl)thiophene-3-carboxylate

Names & synonyms

ethyl 2-amino-4-(3-methoxyphenyl)thiophene-3-carboxylate312289-23-9MFCD014144323-Thiophenecarboxylic acid, 2-amino-4-(3-methoxyphenyl)-, ethyl esterDFRZGBOFFNEAEO-UHFFFAOYSA-NOprea1_081471SCHEMBL689790CHEMBL2393445ALBB-0251762-amino-4-(3-methoxyphenyl)thiophene-3-carboxylic acid ethyl esterSBB072223STK734308
Show more names
AKOS000263747DA-07061LS-08390ST009307CS-0314129AG-205/11846067SR-01000520177SR-01000520177-1

Database identifiers

PubChem CID
690667
ChEMBL
CHEMBL2393445

Properties

Computed structural propertiesFilling in

XLogP
3.6
Topological polar surface area
89.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
19
Formal charge
0
Complexity
313

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Related reactions

4 records
New reaction record
HRID 270197 reaction equation
HRID 270197As reactantuspto-grants-2008_11
HRID 573564 reaction equation
HRID 573564As reactantuspto-grants-2015_05
HRID 1545757 reaction equation
HRID 1545757As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2212288 reaction equation
HRID 2212288As reactantuspto-grants-2006_09

Compound notes

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