CCOC=C1C2=C(C=CC3=C2SC=N3)NC1=O
Name: 8-(ethoxymethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one
SMILES: CCOC=C1C2=C(C=CC3=C2SC=N3)NC1=O

Molecular Processing

Molecular formula
C12H10N2O2S
Molecular weight
246.29
Exact mass
246.0463
XLogP
2.63
TPSA
51.22
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
67.85

Supplementary Information

InChIKey: KESPUSYLYJRMDM-UHFFFAOYSA-N
Synonyme
SCHEMBL5873790KESPUSYLYJRMDM-UHFFFAOYSA-N8-[Ethoxymethylidene]-6H-[1,3]thiazolo[5,4-e]indol-7-one8-ethoxymethylene-6,8-dihydro- 1-thia-3,6-diaza-as-indacen-7-one8-ethoxymethylene-6,8-dihydro-1-thia-3,6-diaza-as-indacen-7-one8ethoxymethylene-6,8-dihydro-1-thia-3,6-diaza-as-indacen-7-one
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