CCC1=CC(=C(S1)NC(=O)C(C)C)C(=O)OCC
이름: ethyl 5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
SMILES: CCC1=CC(=C(S1)NC(=O)C(C)C)C(=O)OCC

Molecular Processing

Molecular formula
C13H19NO3S
Molecular weight
269.37
Exact mass
269.1086
XLogP
3.08
TPSA
55.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
73.12

Supplementary Information

InChIKey: AFQJGIVHAURZIY-UHFFFAOYSA-N
동의어
SCHEMBL11474809AFQJGIVHAURZIY-UHFFFAOYSA-NHMS1598G17ethyl 5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxylateAKOS002258801ST50203107SR-01000284711SR-01000284711-1ethyl 5-ethyl-2-(isobutyrylamino)-3-thiophenecarboxylateN-(3-carbethoxy-5-ethyl-2-thienyl)-2-methylpropanamide
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