CCOC(=O)C1=NOC(=C1C(=O)C2CC2)C3=C(C=C(C=C3)SC)Cl
الاسم: ethyl 5-(2-chloro-4-methylsulfanylphenyl)-4-(cyclopropanecarbonyl)-1,2-oxazole-3-carboxylate
SMILES: CCOC(=O)C1=NOC(=C1C(=O)C2CC2)C3=C(C=C(C=C3)SC)Cl

Molecular Processing

Molecular formula
C17H16ClNO4S
Molecular weight
365.84
Exact mass
365.0489
XLogP
4.49
TPSA
69.4
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
91.74

Supplementary Information

InChIKey: RHRLJVIGVSLUOI-UHFFFAOYSA-N
مرادفات
SCHEMBL8109664RHRLJVIGVSLUOI-UHFFFAOYSA-Nethyl 5-[2-chloro-4(methylsulphenyl)phenyl]-4-cyclopropylcarbonylisoxazole-3-carboxylateethyl 5-[2-chloro-4-(methylsulphenyl)phenyl]-4-cyclopropylcarbonylisoxazole-3-carboxylate
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