ZINC03280434,T0519-9483,IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-qui

[Synonyms]
ZINC03280434
T0519-9483

[Structure]

[ Properties Computed from Structure]

Molecular Weight	327.35442 [g/mol]
Molecular Formula	C17H13NO4S
XLogP	2.1
H-Bond Donor	0
H-Bond Acceptor	5
Rotatable Bond Count	7
Tautomer Count	2
Exact Mass	327.056529
MonoIsotopic Mass	327.056529
Topological Polar Surface Area	65.5
Heavy Atom Count	23
Formal Charge	0
Complexity	431
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate
Canonical SMILES: C1=CC2=C(C(=C1)OCC(=O)OCC(=O)C3=CC=CS3)N=CC=C2
InChI: InChI=1/C17H13NO4S/c19-13(15-7-3-9-23-15)10-22-16(20)11-21-14-6-1-4-12-
5-2-8-18-17(12)14/h1-9H,10-11H2