CCOC(=O)C1=CC2=C(C=C1)NC(=O)C2SC
Name: ethyl 3-methylsulfanyl-2-oxo-1,3-dihydroindole-5-carboxylate
SMILES: CCOC(=O)C1=CC2=C(C=C1)NC(=O)C2SC

Molecular Processing

Molecular formula
C12H13NO3S
Molecular weight
251.31
Exact mass
251.0616
XLogP
2.22
TPSA
55.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
67.28

Supplementary Information

InChIKey: QFXYNCRKFINQOG-UHFFFAOYSA-N
Synonyms
SCHEMBL261250QFXYNCRKFINQOG-UHFFFAOYSA-NEthyl 3-methylsulphanyl-2-oxo-2,3-dihydro-1H-indole-5-carboxylate
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Involved in 7 reactions→

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